N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine

C16H32N2 — CID 79855632

IUPACN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2CCC(C)(C)C2N)CC1
InChIInChI=1S/C16H32N2/c1-12-5-7-14(8-6-12)18(4)11-13-9-10-16(2,3)15(13)17/h12-15H,5-11,17H2,1-4H3
InChIKeyVILDZULYDJKCDG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

About N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 79855632) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID79855632
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2CCC(C)(C)C2N)CC1
InChIInChI=1S/C16H32N2/c1-12-5-7-14(8-6-12)18(4)11-13-9-10-16(2,3)15(13)17/h12-15H,5-11,17H2,1-4H3
InChIKeyVILDZULYDJKCDG-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

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
2,2-dimethyl-6-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79852665
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
2,2-dimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855111
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866470

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 79855632) is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)CC2CCC(C)(C)C2N)CC1.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is VILDZULYDJKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-5-7-14(8-6-12)18(4)11-13-9-10-16(2,3)15(13)17/h12-15H,5-11,17H2,1-4H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-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 N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79855632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).