1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine

C16H32N2 — CID 79070124

IUPAC1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC1CC(C)CC(C(N)C2(N(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2/c1-12-9-13(2)11-14(10-12)15(17)16(18(3)4)7-5-6-8-16/h12-15H,5-11,17H2,1-4H3
InChIKeyUENASMKAOVMBRL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

About 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070124) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070124
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC1CC(C)CC(C(N)C2(N(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2/c1-12-9-13(2)11-14(10-12)15(17)16(18(3)4)7-5-6-8-16/h12-15H,5-11,17H2,1-4H3
InChIKeyUENASMKAOVMBRL-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075132
(3,5-dimethylcyclohexyl)-(1-methoxycyclopentyl)methanamine
CID 104610627
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79060568
[1-(dimethylamino)cyclopentyl]-(3-methylcyclohexyl)methanol
CID 79067467
1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074502
1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79907256
1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 116517701
1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol
CID 79069865
1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine
CID 79080652

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79070124) is 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine is CC1CC(C)CC(C(N)C2(N(C)C)CCCC2)C1.
What is the InChIKey of 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is UENASMKAOVMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-9-13(2)11-14(10-12)15(17)16(18(3)4)7-5-6-8-16/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).