1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine

C14H27N — CID 107189744

IUPAC1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCCC1(C)C
InChIInChI=1S/C14H27N/c1-6-15-13(10-11(2)3)12-8-7-9-14(12,4)5/h12-13,15H,2,6-10H2,1,3-5H3
InChIKeyIZXQGFMSYCKREL-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine

1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine (PubChem CID 107189744) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine
PubChem CID107189744
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCCC1(C)C
InChIInChI=1S/C14H27N/c1-6-15-13(10-11(2)3)12-8-7-9-14(12,4)5/h12-13,15H,2,6-10H2,1,3-5H3
InChIKeyIZXQGFMSYCKREL-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbutan-1-amine
CID 107187753
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954
1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
CID 107192586
2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107188282
1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
CID 107187925
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658
1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 107189769
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-1-amine
CID 105004067
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine (CID 107189744) is 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine?
The InChIKey is IZXQGFMSYCKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-15-13(10-11(2)3)12-8-7-9-14(12,4)5/h12-13,15H,2,6-10H2,1,3-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine?
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 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)-N-ethyl-3-methylbut-3-en-1-amine is sourced from PubChem (CID 107189744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).