1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine

C18H37N — CID 105027808

IUPAC1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C18H37N/c1-6-19-17(13-15(2)14-18(3,4)5)16-11-9-7-8-10-12-16/h15-17,19H,6-14H2,1-5H3
InChIKeyAQGDATKLFBRKRI-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds6

About 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine

1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine (PubChem CID 105027808) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
PubChem CID105027808
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C18H37N/c1-6-19-17(13-15(2)14-18(3,4)5)16-11-9-7-8-10-12-16/h15-17,19H,6-14H2,1-5H3
InChIKeyAQGDATKLFBRKRI-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-cyclohexyl-3,5,5-trimethylhexyl)hydrazine
CID 105282017
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 115863733
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclopentyl-N-ethyl-4,6-dimethylheptan-1-amine
CID 114200352
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine (CID 105027808) is 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine?
The InChIKey is AQGDATKLFBRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-19-17(13-15(2)14-18(3,4)5)16-11-9-7-8-10-12-16/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine?
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 105027808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).