N-but-1-en-2-ylheptan-1-amine

C11H23N — CID 54488469

IUPACN-but-1-en-2-ylheptan-1-amine
SMILESC=C(CC)NCCCCCCC
InChIInChI=1S/C11H23N/c1-4-6-7-8-9-10-12-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyXUAWZUYPGCNXQW-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.47
Rot. Bonds8

About N-but-1-en-2-ylheptan-1-amine

N-but-1-en-2-ylheptan-1-amine (PubChem CID 54488469) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-but-1-en-2-ylheptan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-ylheptan-1-amine
PubChem CID54488469
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-but-1-en-2-ylheptan-1-amine
SMILESC=C(CC)NCCCCCCC
InChIInChI=1S/C11H23N/c1-4-6-7-8-9-10-12-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyXUAWZUYPGCNXQW-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylheptan-1-amine?
The IUPAC name of N-but-1-en-2-ylheptan-1-amine (CID 54488469) is N-but-1-en-2-ylheptan-1-amine.
What is the SMILES notation for N-but-1-en-2-ylheptan-1-amine?
The canonical SMILES for N-but-1-en-2-ylheptan-1-amine is C=C(CC)NCCCCCCC.
What is the InChIKey of N-but-1-en-2-ylheptan-1-amine?
The InChIKey is XUAWZUYPGCNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-7-8-9-10-12-11(3)5-2/h12H,3-10H2,1-2H3.
What are the key properties of N-but-1-en-2-ylheptan-1-amine?
N-but-1-en-2-ylheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylheptan-1-amine is sourced from PubChem (CID 54488469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).