1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine

C18H37N — CID 107187925

IUPAC1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CCCC1(C)C
InChIInChI=1S/C18H37N/c1-6-9-11-15(7-2)14-17(19-8-3)16-12-10-13-18(16,4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyTWPDVJVNPKTLFM-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine

1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine (PubChem CID 107187925) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
PubChem CID107187925
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CCCC1(C)C
InChIInChI=1S/C18H37N/c1-6-9-11-15(7-2)14-17(19-8-3)16-12-10-13-18(16,4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyTWPDVJVNPKTLFM-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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

amine S-24
CID 19985237
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CID 62603300
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CID 403828
N-(2,3-dipropylheptyl)tridecan-1-amine
CID 109427
N-butyl-6,7,10,11-tetramethyldodecan-4-amine
CID 20520383
N-butyl-2-methylundecan-3-amine
CID 54414927
5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine
CID 123810864
3-(1,2-Dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine
CID 123915199
5-(2-fluoropropan-2-yl)-6,7-dimethyl-N-pentyldecan-2-amine
CID 155055525
N-(2-methylheptan-3-yl)octan-1-amine
CID 5234872
2-Methyl-3-hexadecyl-pyrrolidine
CID 54209910
Tetra-propyl-butyl-octyl ammonium bromide
CID 129693978

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine (CID 107187925) is 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine is CCCCC(CC)CC(NCC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine?
The InChIKey is TWPDVJVNPKTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-9-11-15(7-2)14-17(19-8-3)16-12-10-13-18(16,4)5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine?
1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine is sourced from PubChem (CID 107187925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).