2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine

C15H31N — CID 89435892

IUPAC2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine
SMILESC=CC(C)(C)CC(C)(C)N(CCC)CCC
InChIInChI=1S/C15H31N/c1-8-11-16(12-9-2)15(6,7)13-14(4,5)10-3/h10H,3,8-9,11-13H2,1-2,4-7H3
InChIKeyADGHGVUHWVFJTH-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.49
Rot. Bonds8

About 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine

2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine (PubChem CID 89435892) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine
PubChem CID89435892
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine
SMILESC=CC(C)(C)CC(C)(C)N(CCC)CCC
InChIInChI=1S/C15H31N/c1-8-11-16(12-9-2)15(6,7)13-14(4,5)10-3/h10H,3,8-9,11-13H2,1-2,4-7H3
InChIKeyADGHGVUHWVFJTH-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine?
The IUPAC name of 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine (CID 89435892) is 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine is C=CC(C)(C)CC(C)(C)N(CCC)CCC.
What is the InChIKey of 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine?
The InChIKey is ADGHGVUHWVFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-11-16(12-9-2)15(6,7)13-14(4,5)10-3/h10H,3,8-9,11-13H2,1-2,4-7H3.
What are the key properties of 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine?
2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N,N-dipropylhex-5-en-2-amine is sourced from PubChem (CID 89435892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).