N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine

C19H34N4 — CID 70658066

IUPACN'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(CNCC2(CN)CCCCC2)cc1
InChIInChI=1S/C19H34N4/c20-11-4-12-22-13-17-5-7-18(8-6-17)14-23-16-19(15-21)9-2-1-3-10-19/h5-8,22-23H,1-4,9-16,20-21H2
InChIKeySNKMPGJKJBULLK-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.12
Rot. Bonds10

About N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine

N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 70658066) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
PubChem CID70658066
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC NameN'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(CNCC2(CN)CCCCC2)cc1
InChIInChI=1S/C19H34N4/c20-11-4-12-22-13-17-5-7-18(8-6-17)14-23-16-19(15-21)9-2-1-3-10-19/h5-8,22-23H,1-4,9-16,20-21H2
InChIKeySNKMPGJKJBULLK-UHFFFAOYSA-N
XLogP2.12
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

N'-[[4-[[(1-aminocyclohexyl)methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 11255168
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine (CID 70658066) is N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine is NCCCNCc1ccc(CNCC2(CN)CCCCC2)cc1.
What is the InChIKey of N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is SNKMPGJKJBULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c20-11-4-12-22-13-17-5-7-18(8-6-17)14-23-16-19(15-21)9-2-1-3-10-19/h5-8,22-23H,1-4,9-16,20-21H2.
What are the key properties of N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine?
N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 318.51 g/mol, XLogP of 2.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 70658066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).