4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine

C14H25N — CID 11622573

IUPAC4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine
SMILESCCCN(CC#CC(C)=C(C)C)CCC
InChIInChI=1S/C14H25N/c1-6-10-15(11-7-2)12-8-9-14(5)13(3)4/h6-7,10-12H2,1-5H3
InChIKeyZFQRYRBZIAKSBQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.47
Rot. Bonds5

About 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine

4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine (PubChem CID 11622573) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine.

Molecular Properties

Compound Name4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine
PubChem CID11622573
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine
SMILESCCCN(CC#CC(C)=C(C)C)CCC
InChIInChI=1S/C14H25N/c1-6-10-15(11-7-2)12-8-9-14(5)13(3)4/h6-7,10-12H2,1-5H3
InChIKeyZFQRYRBZIAKSBQ-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine?
The IUPAC name of 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine (CID 11622573) is 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine.
What is the SMILES notation for 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine?
The canonical SMILES for 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine is CCCN(CC#CC(C)=C(C)C)CCC.
What is the InChIKey of 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine?
The InChIKey is ZFQRYRBZIAKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-10-15(11-7-2)12-8-9-14(5)13(3)4/h6-7,10-12H2,1-5H3.
What are the key properties of 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine?
4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine is sourced from PubChem (CID 11622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).