N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine

C15H29N — CID 105003819

IUPACN,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine
SMILESC=C(C)CC(NC)C1(CC(C)C)CCCC1
InChIInChI=1S/C15H29N/c1-12(2)10-14(16-5)15(11-13(3)4)8-6-7-9-15/h13-14,16H,1,6-11H2,2-5H3
InChIKeyCEEPNZGNOCXKQI-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds6

About N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine

N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine (PubChem CID 105003819) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine
PubChem CID105003819
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine
SMILESC=C(C)CC(NC)C1(CC(C)C)CCCC1
InChIInChI=1S/C15H29N/c1-12(2)10-14(16-5)15(11-13(3)4)8-6-7-9-15/h13-14,16H,1,6-11H2,2-5H3
InChIKeyCEEPNZGNOCXKQI-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
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

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine
CID 114977002
3-cyclopropyl-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]propan-1-amine
CID 104994759
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983
1-(1-ethylcyclopentyl)-N,4-dimethylpent-4-en-1-amine
CID 105039581
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055222
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
CID 104995384
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115847589
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030314
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105000202
1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
CID 79184871
1-[1-(2-methylpropyl)cyclopentyl]ethylhydrazine
CID 105282594
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-pyrimidin-5-ylmethanamine
CID 115826923

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine?
The IUPAC name of N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine (CID 105003819) is N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine is C=C(C)CC(NC)C1(CC(C)C)CCCC1.
What is the InChIKey of N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine?
The InChIKey is CEEPNZGNOCXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2)10-14(16-5)15(11-13(3)4)8-6-7-9-15/h13-14,16H,1,6-11H2,2-5H3.
What are the key properties of N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine?
N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine is sourced from PubChem (CID 105003819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).