1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine

C24H48N4 — CID 170740010

IUPAC1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
SMILESC=CNCC1(CCC)CCN(C(C)C)C1.CC(C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H26N2.C11H22N2/c1-5-7-13(10-14-6-2)8-9-15(11-13)12(3)4;1-10(2)13-7-5-12(6-8-13)9-11-3-4-11/h6,12,14H,2,5,7-11H2,1,3-4H3;10-11H,3-9H2,1-2H3
InChIKeyQVUDZUPPUJEWMY-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.04
Rot. Bonds9

About 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine

1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine (PubChem CID 170740010) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
PubChem CID170740010
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC Name1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
SMILESC=CNCC1(CCC)CCN(C(C)C)C1.CC(C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H26N2.C11H22N2/c1-5-7-13(10-14-6-2)8-9-15(11-13)12(3)4;1-10(2)13-7-5-12(6-8-13)9-11-3-4-11/h6,12,14H,2,5,7-11H2,1,3-4H3;10-11H,3-9H2,1-2H3
InChIKeyQVUDZUPPUJEWMY-UHFFFAOYSA-N
XLogP4.04
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
CID 174258805
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide
CID 170740078
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine?
The IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine (CID 170740010) is 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine is C=CNCC1(CCC)CCN(C(C)C)C1.CC(C)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine?
The InChIKey is QVUDZUPPUJEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C11H22N2/c1-5-7-13(10-14-6-2)8-9-15(11-13)12(3)4;1-10(2)13-7-5-12(6-8-13)9-11-3-4-11/h6,12,14H,2,5,7-11H2,1,3-4H3;10-11H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine?
1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine has a molecular weight of 392.68 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine is sourced from PubChem (CID 170740010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).