N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine

C11H19N — CID 115873081

IUPACN-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCCN(CC)CC1CC1
InChIInChI=1S/C11H19N/c1-3-5-6-9-12(4-2)10-11-7-8-11/h1,11H,4-10H2,2H3
InChIKeyQBBKWPDZIGHWOA-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine

N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine (PubChem CID 115873081) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
PubChem CID115873081
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCCN(CC)CC1CC1
InChIInChI=1S/C11H19N/c1-3-5-6-9-12(4-2)10-11-7-8-11/h1,11H,4-10H2,2H3
InChIKeyQBBKWPDZIGHWOA-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
CID 63939122
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
CID 115873084
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
CID 102996136
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine (CID 115873081) is N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine is C#CCCCN(CC)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine?
The InChIKey is QBBKWPDZIGHWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-6-9-12(4-2)10-11-7-8-11/h1,11H,4-10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine?
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 115873081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).