N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine

C16H33N3 — CID 79847644

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCCCC2(C)C)C1
InChIInChI=1S/C16H33N3/c1-15(2)9-5-6-10-16(15,13-17)19(4)14-8-7-11-18(3)12-14/h14H,5-13,17H2,1-4H3
InChIKeyVJRLUJWKAVZQKC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79847644) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79847644
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCCCC2(C)C)C1
InChIInChI=1S/C16H33N3/c1-15(2)9-5-6-10-16(15,13-17)19(4)14-8-7-11-18(3)12-14/h14H,5-13,17H2,1-4H3
InChIKeyVJRLUJWKAVZQKC-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64755493
1-(aminomethyl)-N-(cyclobutylmethyl)-N,2,2-trimethylcyclopentan-1-amine
CID 79857351
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64753446
N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
CID 62976020
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 79847113
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836655

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine (CID 79847644) is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)C2(CN)CCCCC2(C)C)C1.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is VJRLUJWKAVZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2)9-5-6-10-16(15,13-17)19(4)14-8-7-11-18(3)12-14/h14H,5-13,17H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine?
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79847644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).