N-but-3-ynyl-N-ethylcyclopentanamine

C11H19N — CID 63657034

IUPACN-but-3-ynyl-N-ethylcyclopentanamine
SMILESC#CCCN(CC)C1CCCC1
InChIInChI=1S/C11H19N/c1-3-5-10-12(4-2)11-8-6-7-9-11/h1,11H,4-10H2,2H3
InChIKeyHOLFZIXGWPAVBN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds4

About N-but-3-ynyl-N-ethylcyclopentanamine

N-but-3-ynyl-N-ethylcyclopentanamine (PubChem CID 63657034) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-but-3-ynyl-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-but-3-ynyl-N-ethylcyclopentanamine
PubChem CID63657034
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-but-3-ynyl-N-ethylcyclopentanamine
SMILESC#CCCN(CC)C1CCCC1
InChIInChI=1S/C11H19N/c1-3-5-10-12(4-2)11-8-6-7-9-11/h1,11H,4-10H2,2H3
InChIKeyHOLFZIXGWPAVBN-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-but-3-ynylcyclopropanamine
CID 63655614
N,N-diethylcycloundecanamine
CID 163828609
N,N-diethylcyclobutanamine;ethane
CID 170746144
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
CID 112548457
N,N-dipropylcyclodecanamine
CID 139723962

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N-ethylcyclopentanamine?
The IUPAC name of N-but-3-ynyl-N-ethylcyclopentanamine (CID 63657034) is N-but-3-ynyl-N-ethylcyclopentanamine.
What is the SMILES notation for N-but-3-ynyl-N-ethylcyclopentanamine?
The canonical SMILES for N-but-3-ynyl-N-ethylcyclopentanamine is C#CCCN(CC)C1CCCC1.
What is the InChIKey of N-but-3-ynyl-N-ethylcyclopentanamine?
The InChIKey is HOLFZIXGWPAVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-10-12(4-2)11-8-6-7-9-11/h1,11H,4-10H2,2H3.
What are the key properties of N-but-3-ynyl-N-ethylcyclopentanamine?
N-but-3-ynyl-N-ethylcyclopentanamine has a molecular weight of 165.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N-ethylcyclopentanamine is sourced from PubChem (CID 63657034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).