N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine

C15H31N — CID 103460646

IUPACN-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCC(C)(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)16-12-15(3,4)6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyPYGANVIKEQYHBK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds5

About N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine

N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine (PubChem CID 103460646) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
PubChem CID103460646
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCC(C)(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)16-12-15(3,4)6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyPYGANVIKEQYHBK-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
CID 81412355
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
N-(3-cyclopentyl-2,2-dimethylpropyl)cyclopropanamine
CID 62723939
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
N-(2,2-dimethylbutyl)piperidin-4-amine
CID 103460712
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine (CID 103460646) is N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine is CCC1CCCC(NCC(C)(C)CC)CC1.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine?
The InChIKey is PYGANVIKEQYHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)16-12-15(3,4)6-2/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine?
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 103460646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).