2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine

C17H35N3 — CID 62272448

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H35N3/c1-4-9-18-14-17(5-2,6-3)15-19-10-12-20(13-11-19)16-7-8-16/h16,18H,4-15H2,1-3H3
InChIKeyLNOXREABZFOCFK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds9

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine (PubChem CID 62272448) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
PubChem CID62272448
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H35N3/c1-4-9-18-14-17(5-2,6-3)15-19-10-12-20(13-11-19)16-7-8-16/h16,18H,4-15H2,1-3H3
InChIKeyLNOXREABZFOCFK-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine 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

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
CID 114681903
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
N-[2-ethyl-2-[(4-propylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 62261471
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
CID 64580209
2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine (CID 62272448) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine?
The InChIKey is LNOXREABZFOCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-9-18-14-17(5-2,6-3)15-19-10-12-20(13-11-19)16-7-8-16/h16,18H,4-15H2,1-3H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 62272448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).