N-but-3-en-2-ylpent-4-yn-2-amine

C9H15N — CID 107908035

IUPACN-but-3-en-2-ylpent-4-yn-2-amine
SMILESC#CCC(C)NC(C)C=C
InChIInChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h1,6,8-10H,2,7H2,3-4H3
InChIKeyDQFQGPAKGYJTPF-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds4

About N-but-3-en-2-ylpent-4-yn-2-amine

N-but-3-en-2-ylpent-4-yn-2-amine (PubChem CID 107908035) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-but-3-en-2-ylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-ylpent-4-yn-2-amine
PubChem CID107908035
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-but-3-en-2-ylpent-4-yn-2-amine
SMILESC#CCC(C)NC(C)C=C
InChIInChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h1,6,8-10H,2,7H2,3-4H3
InChIKeyDQFQGPAKGYJTPF-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864569
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
N-ethylpent-4-yn-2-amine
CID 62233889
N-but-3-en-2-ylhex-5-yn-1-amine
CID 106211402
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
CID 115977708
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
N-[1-(4-chlorophenyl)propan-2-yl]but-3-en-2-amine
CID 115898593
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
CID 115664214
N-pent-4-yn-2-ylmethanesulfinamide
CID 130834467

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylpent-4-yn-2-amine?
The IUPAC name of N-but-3-en-2-ylpent-4-yn-2-amine (CID 107908035) is N-but-3-en-2-ylpent-4-yn-2-amine.
What is the SMILES notation for N-but-3-en-2-ylpent-4-yn-2-amine?
The canonical SMILES for N-but-3-en-2-ylpent-4-yn-2-amine is C#CCC(C)NC(C)C=C.
What is the InChIKey of N-but-3-en-2-ylpent-4-yn-2-amine?
The InChIKey is DQFQGPAKGYJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(4)10-8(3)6-2/h1,6,8-10H,2,7H2,3-4H3.
What are the key properties of N-but-3-en-2-ylpent-4-yn-2-amine?
N-but-3-en-2-ylpent-4-yn-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylpent-4-yn-2-amine is sourced from PubChem (CID 107908035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).