(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine

C15H26NP — CID 167047006

IUPAC(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine
SMILESCC#CPC(CC)/C(C)=C/C=C(\C)CN(C)C
InChIInChI=1S/C15H26NP/c1-7-11-17-15(8-2)14(4)10-9-13(3)12-16(5)6/h9-10,15,17H,8,12H2,1-6H3/b13-9+,14-10+
InChIKeyLYKULAMTMWOFGN-UTLPMFLDSA-N
MW251.35 g/mol
LogP3.88
Rot. Bonds6

About (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine

(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine (PubChem CID 167047006) has the molecular formula C15H26NP and a molecular weight of 251.35 g/mol. Its IUPAC name is (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine
PubChem CID167047006
Molecular FormulaC15H26NP
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine
SMILESCC#CPC(CC)/C(C)=C/C=C(\C)CN(C)C
InChIInChI=1S/C15H26NP/c1-7-11-17-15(8-2)14(4)10-9-13(3)12-16(5)6/h9-10,15,17H,8,12H2,1-6H3/b13-9+,14-10+
InChIKeyLYKULAMTMWOFGN-UTLPMFLDSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine (CID 167047006) is (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine is CC#CPC(CC)/C(C)=C/C=C(\C)CN(C)C.
What is the InChIKey of (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine?
The InChIKey is LYKULAMTMWOFGN-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H26NP/c1-7-11-17-15(8-2)14(4)10-9-13(3)12-16(5)6/h9-10,15,17H,8,12H2,1-6H3/b13-9+,14-10+.
What are the key properties of (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine?
(2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine has a molecular weight of 251.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N,2,5-tetramethyl-6-prop-1-ynylphosphanylocta-2,4-dien-1-amine is sourced from PubChem (CID 167047006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).