1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine

C14H29N — CID 107190066

IUPAC1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1CCCC1(C)C
InChIInChI=1S/C14H29N/c1-6-11(7-2)13(15-5)12-9-8-10-14(12,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyPSGQYZAQSWQOGC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine

1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 107190066) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID107190066
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1CCCC1(C)C
InChIInChI=1S/C14H29N/c1-6-11(7-2)13(15-5)12-9-8-10-14(12,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyPSGQYZAQSWQOGC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine (CID 107190066) is 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is PSGQYZAQSWQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-11(7-2)13(15-5)12-9-8-10-14(12,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine?
1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 107190066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).