2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine

C14H29N — CID 83139413

IUPAC2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-5-10-15-11-13(14(2,3)4)12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3
InChIKeyIKOSHVUWAHMYBT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds5

About 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine

2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 83139413) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID83139413
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C1CCCC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-5-10-15-11-13(14(2,3)4)12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3
InChIKeyIKOSHVUWAHMYBT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
N-(2,2-dicyclopropylethyl)propan-1-amine
CID 19374902
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 104819521
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
2-cyclopentyl-4-methyl-N-propylheptan-1-amine
CID 112569912
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine (CID 83139413) is 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C1CCCC1)C(C)(C)C.
What is the InChIKey of 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is IKOSHVUWAHMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-10-15-11-13(14(2,3)4)12-8-6-7-9-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine?
2-cyclopentyl-3,3-dimethyl-N-propylbutan-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 2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 83139413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).