2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

C14H27N — CID 102641015

IUPAC2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)CC1CCCC1
InChIInChI=1S/C14H27N/c1-5-14(4,11-15-12(2)3)10-13-8-6-7-9-13/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyIMQHVVDIZHDYEY-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds6

About 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641015) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641015
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)CC1CCCC1
InChIInChI=1S/C14H27N/c1-5-14(4,11-15-12(2)3)10-13-8-6-7-9-13/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyIMQHVVDIZHDYEY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2-Methyl-4,4-bis(prop-2-enyl)pyrrolidine
CID 73219360
trans-2,5-Bis-(1,1-dimethylallyl)-pyrrolidine
CID 11127485
(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 11194376
Pyrrolidine, 2,4-dimethyl-4-(2-propenyl)-
CID 11332783
(2S,3R,7S)-7-ethyl-3-methyl-2-prop-2-enylazecane
CID 46218591
(2S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 55299437
N-(2-methylpropyl)-2-prop-2-enylcyclopentan-1-amine
CID 85614648
(2R,4R)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 101731970
2-methyl-3-pentyl-2,3-dihydro-1H-pyrrole
CID 145707117
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
2-[(3,3-difluorocyclopentyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 114225153

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102641015) is 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is IMQHVVDIZHDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-14(4,11-15-12(2)3)10-13-8-6-7-9-13/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).