3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine

C15H31N3 — CID 55069148

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-6-16-11-14(2)12-17-7-9-18(10-8-17)13-15-4-5-15/h14-16H,3-13H2,1-2H3
InChIKeyNHOKCEIKUOWMTH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds8

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine

3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 55069148) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID55069148
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-6-16-11-14(2)12-17-7-9-18(10-8-17)13-15-4-5-15/h14-16H,3-13H2,1-2H3
InChIKeyNHOKCEIKUOWMTH-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine (CID 55069148) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine is CCCNCC(C)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is NHOKCEIKUOWMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-6-16-11-14(2)12-17-7-9-18(10-8-17)13-15-4-5-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 55069148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).