N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine

C12H21N — CID 65414993

IUPACN-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCC(C)C1
InChIInChI=1S/C12H21N/c1-4-6-12(13-5-2)11-8-7-10(3)9-11/h1,10-13H,5-9H2,2-3H3
InChIKeyKLINBWOGBINSKU-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.42
Rot. Bonds4

About N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine

N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine (PubChem CID 65414993) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
PubChem CID65414993
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCC(C)C1
InChIInChI=1S/C12H21N/c1-4-6-12(13-5-2)11-8-7-10(3)9-11/h1,10-13H,5-9H2,2-3H3
InChIKeyKLINBWOGBINSKU-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)but-3-yn-1-amine
CID 62233351
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine
CID 65328587
1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine
CID 65419542
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine (CID 65414993) is N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine is C#CCC(NCC)C1CCC(C)C1.
What is the InChIKey of N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine?
The InChIKey is KLINBWOGBINSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-12(13-5-2)11-8-7-10(3)9-11/h1,10-13H,5-9H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine?
N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine is sourced from PubChem (CID 65414993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).