[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine

C24H42N4 — CID 145151914

IUPAC[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
SMILESNCC1CCCC(CNCc2ccc(CNCC3CCCC(CN)C3)cc2)C1
InChIInChI=1S/C24H42N4/c25-13-21-3-1-5-23(11-21)17-27-15-19-7-9-20(10-8-19)16-28-18-24-6-2-4-22(12-24)14-26/h7-10,21-24,27-28H,1-6,11-18,25-26H2
InChIKeyHIJVANYMQNXWBA-UHFFFAOYSA-N
MW386.63 g/mol
LogP3.40
Rot. Bonds10

About [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine

[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine (PubChem CID 145151914) has the molecular formula C24H42N4 and a molecular weight of 386.63 g/mol. Its IUPAC name is [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
PubChem CID145151914
Molecular FormulaC24H42N4
Molecular Weight386.63 g/mol
Exact Mass386.34
IUPAC Name[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
SMILESNCC1CCCC(CNCc2ccc(CNCC3CCCC(CN)C3)cc2)C1
InChIInChI=1S/C24H42N4/c25-13-21-3-1-5-23(11-21)17-27-15-19-7-9-20(10-8-19)16-28-18-24-6-2-4-22(12-24)14-26/h7-10,21-24,27-28H,1-6,11-18,25-26H2
InChIKeyHIJVANYMQNXWBA-UHFFFAOYSA-N
XLogP3.40
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-[3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560449
N-[(4-heptylphenyl)methyl]-1-[3-[[(4-heptylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560696
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
4-[[(3-chlorocyclohexyl)methylamino]methyl]phenol
CID 106122675
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine (CID 145151914) is [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine is NCC1CCCC(CNCc2ccc(CNCC3CCCC(CN)C3)cc2)C1.
What is the InChIKey of [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine?
The InChIKey is HIJVANYMQNXWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4/c25-13-21-3-1-5-23(11-21)17-27-15-19-7-9-20(10-8-19)16-28-18-24-6-2-4-22(12-24)14-26/h7-10,21-24,27-28H,1-6,11-18,25-26H2.
What are the key properties of [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine?
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 386.63 g/mol, XLogP of 3.40, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 145151914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).