N-ethylpent-4-en-2-yn-1-amine

C7H11N — CID 55286189

IUPACN-ethylpent-4-en-2-yn-1-amine
SMILESC=CC#CCNCC
InChIInChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3,8H,1,4,7H2,2H3
InChIKeyBSHVFDKRAGUQJH-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.79
Rot. Bonds2

About N-ethylpent-4-en-2-yn-1-amine

N-ethylpent-4-en-2-yn-1-amine (PubChem CID 55286189) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-ethylpent-4-en-2-yn-1-amine.

Molecular Properties

Compound NameN-ethylpent-4-en-2-yn-1-amine
PubChem CID55286189
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-ethylpent-4-en-2-yn-1-amine
SMILESC=CC#CCNCC
InChIInChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3,8H,1,4,7H2,2H3
InChIKeyBSHVFDKRAGUQJH-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
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

deca-1,9-dien-3,7-diyne
CID 12526720
N-methyl-N-pent-4-en-2-ynylpent-4-en-2-yn-1-amine
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N-ethyl-4-methylpent-2-yn-1-amine
CID 87579877
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
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sodium;N-ethylprop-2-en-1-amine;hydride
CID 173234565
N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
CID 169425811
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;yttrium
CID 174702634
N-ethylethanamine;λ2-plumbane
CID 174566138
N-ethylethanamine;titanium(4+)
CID 21151065
carbon dioxide;bis(N-ethylethanamine)
CID 160826902

Frequently Asked Questions

What is the IUPAC name of N-ethylpent-4-en-2-yn-1-amine?
The IUPAC name of N-ethylpent-4-en-2-yn-1-amine (CID 55286189) is N-ethylpent-4-en-2-yn-1-amine.
What is the SMILES notation for N-ethylpent-4-en-2-yn-1-amine?
The canonical SMILES for N-ethylpent-4-en-2-yn-1-amine is C=CC#CCNCC.
What is the InChIKey of N-ethylpent-4-en-2-yn-1-amine?
The InChIKey is BSHVFDKRAGUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-6-7-8-4-2/h3,8H,1,4,7H2,2H3.
What are the key properties of N-ethylpent-4-en-2-yn-1-amine?
N-ethylpent-4-en-2-yn-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpent-4-en-2-yn-1-amine is sourced from PubChem (CID 55286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).