1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine

C15H27N2P — CID 140640189

IUPAC1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)C1=CC(C)(P2CCCC2)C(N(C)C)C=C1
InChIInChI=1S/C15H27N2P/c1-15(18-10-6-7-11-18)12-13(16(2)3)8-9-14(15)17(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3
InChIKeyDSIDRRQRQTYAQB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.97
Rot. Bonds3

About 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine

1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 140640189) has the molecular formula C15H27N2P and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID140640189
Molecular FormulaC15H27N2P
Molecular Weight266.37 g/mol
Exact Mass266.19
IUPAC Name1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)C1=CC(C)(P2CCCC2)C(N(C)C)C=C1
InChIInChI=1S/C15H27N2P/c1-15(18-10-6-7-11-18)12-13(16(2)3)8-9-14(15)17(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3
InChIKeyDSIDRRQRQTYAQB-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine 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 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine (CID 140640189) is 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine is CN(C)C1=CC(C)(P2CCCC2)C(N(C)C)C=C1.
What is the InChIKey of 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is DSIDRRQRQTYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2P/c1-15(18-10-6-7-11-18)12-13(16(2)3)8-9-14(15)17(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3.
What are the key properties of 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine?
1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 266.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N,3-pentamethyl-3-(phospholan-1-yl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 140640189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).