N-but-3-enylpentan-3-amine

C9H19N — CID 55302123

IUPACN-but-3-enylpentan-3-amine
SMILESC=CCCNC(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-10-9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyPYHVLVKGLZLVQO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds6

About N-but-3-enylpentan-3-amine

N-but-3-enylpentan-3-amine (PubChem CID 55302123) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-but-3-enylpentan-3-amine.

Molecular Properties

Compound NameN-but-3-enylpentan-3-amine
PubChem CID55302123
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-but-3-enylpentan-3-amine
SMILESC=CCCNC(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-10-9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyPYHVLVKGLZLVQO-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylpentan-3-amine?
The IUPAC name of N-but-3-enylpentan-3-amine (CID 55302123) is N-but-3-enylpentan-3-amine.
What is the SMILES notation for N-but-3-enylpentan-3-amine?
The canonical SMILES for N-but-3-enylpentan-3-amine is C=CCCNC(CC)CC.
What is the InChIKey of N-but-3-enylpentan-3-amine?
The InChIKey is PYHVLVKGLZLVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-7-8-10-9(5-2)6-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-but-3-enylpentan-3-amine?
N-but-3-enylpentan-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylpentan-3-amine is sourced from PubChem (CID 55302123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).