N-[(4-aminocyclohexyl)methyl]-4-butylaniline

C17H28N2 — CID 59549626

IUPACN-[(4-aminocyclohexyl)methyl]-4-butylaniline
SMILESCCCCc1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-4-14-7-11-17(12-8-14)19-13-15-5-9-16(18)10-6-15/h7-8,11-12,15-16,19H,2-6,9-10,13,18H2,1H3
InChIKeyVOKOGKLXCHSLQT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-aminocyclohexyl)methyl]-4-butylaniline

N-[(4-aminocyclohexyl)methyl]-4-butylaniline (PubChem CID 59549626) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-butylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-butylaniline
PubChem CID59549626
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-butylaniline
SMILESCCCCc1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-4-14-7-11-17(12-8-14)19-13-15-5-9-16(18)10-6-15/h7-8,11-12,15-16,19H,2-6,9-10,13,18H2,1H3
InChIKeyVOKOGKLXCHSLQT-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-butylanilino)methyl]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231468
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
N-[(1-methylpiperidin-3-yl)methyl]-4-pentylaniline
CID 62654693
5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol
CID 59230219
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline
CID 83961205
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-butylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-butylaniline (CID 59549626) is N-[(4-aminocyclohexyl)methyl]-4-butylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-butylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-butylaniline is CCCCc1ccc(NCC2CCC(N)CC2)cc1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-butylaniline?
The InChIKey is VOKOGKLXCHSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-14-7-11-17(12-8-14)19-13-15-5-9-16(18)10-6-15/h7-8,11-12,15-16,19H,2-6,9-10,13,18H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-butylaniline?
N-[(4-aminocyclohexyl)methyl]-4-butylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-butylaniline is sourced from PubChem (CID 59549626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).