4-but-1-en-2-yl-4-methyldecan-2-amine

C15H31N — CID 154980827

IUPAC4-but-1-en-2-yl-4-methyldecan-2-amine
SMILESC=C(CC)C(C)(CCCCCC)CC(C)N
InChIInChI=1S/C15H31N/c1-6-8-9-10-11-15(5,12-14(4)16)13(3)7-2/h14H,3,6-12,16H2,1-2,4-5H3
InChIKeyHHZKYEBNKJFZJE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.67
Rot. Bonds9

About 4-but-1-en-2-yl-4-methyldecan-2-amine

4-but-1-en-2-yl-4-methyldecan-2-amine (PubChem CID 154980827) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-but-1-en-2-yl-4-methyldecan-2-amine.

Molecular Properties

Compound Name4-but-1-en-2-yl-4-methyldecan-2-amine
PubChem CID154980827
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-but-1-en-2-yl-4-methyldecan-2-amine
SMILESC=C(CC)C(C)(CCCCCC)CC(C)N
InChIInChI=1S/C15H31N/c1-6-8-9-10-11-15(5,12-14(4)16)13(3)7-2/h14H,3,6-12,16H2,1-2,4-5H3
InChIKeyHHZKYEBNKJFZJE-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.67
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 4-but-1-en-2-yl-4-methyldecan-2-amine?
The IUPAC name of 4-but-1-en-2-yl-4-methyldecan-2-amine (CID 154980827) is 4-but-1-en-2-yl-4-methyldecan-2-amine.
What is the SMILES notation for 4-but-1-en-2-yl-4-methyldecan-2-amine?
The canonical SMILES for 4-but-1-en-2-yl-4-methyldecan-2-amine is C=C(CC)C(C)(CCCCCC)CC(C)N.
What is the InChIKey of 4-but-1-en-2-yl-4-methyldecan-2-amine?
The InChIKey is HHZKYEBNKJFZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-8-9-10-11-15(5,12-14(4)16)13(3)7-2/h14H,3,6-12,16H2,1-2,4-5H3.
What are the key properties of 4-but-1-en-2-yl-4-methyldecan-2-amine?
4-but-1-en-2-yl-4-methyldecan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-4-methyldecan-2-amine is sourced from PubChem (CID 154980827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).