N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine

C17H28N2 — CID 104746537

IUPACN'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
SMILESCCCCN(CC(N)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-13-19(16-11-5-4-6-12-16)14-17(18)15-9-7-8-10-15/h4-6,11-12,15,17H,2-3,7-10,13-14,18H2,1H3
InChIKeyFEUIXMCNXWMDRX-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.81
Rot. Bonds7

About N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine

N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine (PubChem CID 104746537) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
PubChem CID104746537
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
SMILESCCCCN(CC(N)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-13-19(16-11-5-4-6-12-16)14-17(18)15-9-7-8-10-15/h4-6,11-12,15,17H,2-3,7-10,13-14,18H2,1H3
InChIKeyFEUIXMCNXWMDRX-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
CID 64585186
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
1-(N-butylanilino)butan-2-ol
CID 63102235
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-N-[[2-(ethylamino)cyclohexyl]methyl]aniline
CID 64586215
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-[(2-amino-1-methylcyclopentyl)methyl]-N-butylaniline
CID 82768214

Frequently Asked Questions

What is the IUPAC name of N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine (CID 104746537) is N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine is CCCCN(CC(N)C1CCCC1)c1ccccc1.
What is the InChIKey of N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine?
The InChIKey is FEUIXMCNXWMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-13-19(16-11-5-4-6-12-16)14-17(18)15-9-7-8-10-15/h4-6,11-12,15,17H,2-3,7-10,13-14,18H2,1H3.
What are the key properties of N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine?
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 104746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).