3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine

C10H17N — CID 146589541

IUPAC3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine
SMILESC#CCC(=C)NCCC(C)C
InChIInChI=1S/C10H17N/c1-5-6-10(4)11-8-7-9(2)3/h1,9,11H,4,6-8H2,2-3H3
InChIKeyHZCPZBVXQMXPLP-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.16
Rot. Bonds5

About 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine

3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine (PubChem CID 146589541) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine
PubChem CID146589541
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine
SMILESC#CCC(=C)NCCC(C)C
InChIInChI=1S/C10H17N/c1-5-6-10(4)11-8-7-9(2)3/h1,9,11H,4,6-8H2,2-3H3
InChIKeyHZCPZBVXQMXPLP-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.16
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

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CID 143734498
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CID 139520172
8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186
5-methyl-N-(2-methylpropyl)hex-1-en-2-amine
CID 153336288
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine (CID 146589541) is 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine is C#CCC(=C)NCCC(C)C.
What is the InChIKey of 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine?
The InChIKey is HZCPZBVXQMXPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-10(4)11-8-7-9(2)3/h1,9,11H,4,6-8H2,2-3H3.
What are the key properties of 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine?
3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-1-en-4-yn-2-ylbutan-1-amine is sourced from PubChem (CID 146589541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).