N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine

C14H30N2 — CID 142934377

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1CCC(CN)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h12-13,16H,4-11,15H2,1-3H3
InChIKeyDZZGWGFXOWTOMY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.78
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine (PubChem CID 142934377) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
PubChem CID142934377
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1CCC(CN)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h12-13,16H,4-11,15H2,1-3H3
InChIKeyDZZGWGFXOWTOMY-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 59867972
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
4-(cyclobutylmethylamino)-2-methylbutan-2-ol
CID 79359922
1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
CID 111868538
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine (CID 142934377) is N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is DZZGWGFXOWTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 142934377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).