1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

C16H34N2 — CID 65087963

IUPAC1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCN(CC(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3
InChIKeyIKWJPFHNGLZZFY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (PubChem CID 65087963) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
PubChem CID65087963
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCN(CC(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3
InChIKeyIKWJPFHNGLZZFY-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N2-(cycloheptylmethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482174
1-(aminomethyl)-N,N-dimethylcycloheptan-1-amine
CID 9167342
1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcycloheptan-1-amine
CID 80699087
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cycloheptan-1-amine
CID 80699197
1-(aminomethyl)-N-(2-fluoroethyl)-N-propylcycloheptan-1-amine
CID 80699198
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcycloheptan-1-amine
CID 81105872
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine
CID 81106043
1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine
CID 81106044
1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine
CID 18364431
1-(aminomethyl)-N,N-diethylcycloheptan-1-amine
CID 21027192
(2R)-3-cycloheptyl-1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598112
N-(4,4-diethyldecyl)-N'-(3-ethylundecan-3-yl)ethane-1,2-diamine
CID 89346158

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (CID 65087963) is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is CCN(CC(C)C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The InChIKey is IKWJPFHNGLZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65087963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).