N-but-3-enyl-3,4-dimethylhex-5-en-2-amine

C12H23N — CID 123718494

IUPACN-but-3-enyl-3,4-dimethylhex-5-en-2-amine
SMILESC=CCCNC(C)C(C)C(C)C=C
InChIInChI=1S/C12H23N/c1-6-8-9-13-12(5)11(4)10(3)7-2/h6-7,10-13H,1-2,8-9H2,3-5H3
InChIKeyFKXNBSBMVGCEFH-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.00
Rot. Bonds7

About N-but-3-enyl-3,4-dimethylhex-5-en-2-amine

N-but-3-enyl-3,4-dimethylhex-5-en-2-amine (PubChem CID 123718494) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-but-3-enyl-3,4-dimethylhex-5-en-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-3,4-dimethylhex-5-en-2-amine
PubChem CID123718494
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-but-3-enyl-3,4-dimethylhex-5-en-2-amine
SMILESC=CCCNC(C)C(C)C(C)C=C
InChIInChI=1S/C12H23N/c1-6-8-9-13-12(5)11(4)10(3)7-2/h6-7,10-13H,1-2,8-9H2,3-5H3
InChIKeyFKXNBSBMVGCEFH-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.00
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-enyl-3,4-dimethylhex-5-en-2-amine?
The IUPAC name of N-but-3-enyl-3,4-dimethylhex-5-en-2-amine (CID 123718494) is N-but-3-enyl-3,4-dimethylhex-5-en-2-amine.
What is the SMILES notation for N-but-3-enyl-3,4-dimethylhex-5-en-2-amine?
The canonical SMILES for N-but-3-enyl-3,4-dimethylhex-5-en-2-amine is C=CCCNC(C)C(C)C(C)C=C.
What is the InChIKey of N-but-3-enyl-3,4-dimethylhex-5-en-2-amine?
The InChIKey is FKXNBSBMVGCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-9-13-12(5)11(4)10(3)7-2/h6-7,10-13H,1-2,8-9H2,3-5H3.
What are the key properties of N-but-3-enyl-3,4-dimethylhex-5-en-2-amine?
N-but-3-enyl-3,4-dimethylhex-5-en-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3,4-dimethylhex-5-en-2-amine is sourced from PubChem (CID 123718494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).