N-butylhex-3-en-1-amine

C10H21N — CID 54358990

IUPACN-butylhex-3-en-1-amine
SMILESCCC=CCCNCCCC
InChIInChI=1S/C10H21N/c1-3-5-7-8-10-11-9-6-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyHXSYDZCQRZKQLV-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.73
Rot. Bonds7

About N-butylhex-3-en-1-amine

N-butylhex-3-en-1-amine (PubChem CID 54358990) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butylhex-3-en-1-amine.

Molecular Properties

Compound NameN-butylhex-3-en-1-amine
PubChem CID54358990
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butylhex-3-en-1-amine
SMILESCCC=CCCNCCCC
InChIInChI=1S/C10H21N/c1-3-5-7-8-10-11-9-6-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyHXSYDZCQRZKQLV-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.73
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-butylhex-3-en-1-amine?
The IUPAC name of N-butylhex-3-en-1-amine (CID 54358990) is N-butylhex-3-en-1-amine.
What is the SMILES notation for N-butylhex-3-en-1-amine?
The canonical SMILES for N-butylhex-3-en-1-amine is CCC=CCCNCCCC.
What is the InChIKey of N-butylhex-3-en-1-amine?
The InChIKey is HXSYDZCQRZKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-5-7-8-10-11-9-6-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-butylhex-3-en-1-amine?
N-butylhex-3-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhex-3-en-1-amine is sourced from PubChem (CID 54358990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).