N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine

C16H32N2 — CID 79865875

IUPACN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(CC1CCC(C)(C)C1N)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-4-18(14-8-6-5-7-9-14)12-13-10-11-16(2,3)15(13)17/h13-15H,4-12,17H2,1-3H3
InChIKeyXGZYLVBDPZGFEU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds4

About N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine (PubChem CID 79865875) 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-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
PubChem CID79865875
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(CC1CCC(C)(C)C1N)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-4-18(14-8-6-5-7-9-14)12-13-10-11-16(2,3)15(13)17/h13-15H,4-12,17H2,1-3H3
InChIKeyXGZYLVBDPZGFEU-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
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
5-[[cyclopentyl(ethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855967
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
CID 66236915
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79864399
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
N,N-diethylcycloundecanamine
CID 163828609
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine (CID 79865875) is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine is CCN(CC1CCC(C)(C)C1N)C1CCCCC1.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine?
The InChIKey is XGZYLVBDPZGFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-18(14-8-6-5-7-9-14)12-13-10-11-16(2,3)15(13)17/h13-15H,4-12,17H2,1-3H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine?
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 4 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-ethylcyclohexanamine is sourced from PubChem (CID 79865875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).