N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine

C9H22NP — CID 12935744

IUPACN-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
SMILESCC(C)CP(C(C)C)N(C)C
InChIInChI=1S/C9H22NP/c1-8(2)7-11(9(3)4)10(5)6/h8-9H,7H2,1-6H3
InChIKeyVESJJPINVDIJSO-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine

N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine (PubChem CID 12935744) has the molecular formula C9H22NP and a molecular weight of 175.26 g/mol. Its IUPAC name is N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
PubChem CID12935744
Molecular FormulaC9H22NP
Molecular Weight175.26 g/mol
Exact Mass175.15
IUPAC NameN-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
SMILESCC(C)CP(C(C)C)N(C)C
InChIInChI=1S/C9H22NP/c1-8(2)7-11(9(3)4)10(5)6/h8-9H,7H2,1-6H3
InChIKeyVESJJPINVDIJSO-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine 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 N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The IUPAC name of N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine (CID 12935744) is N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine.
What is the SMILES notation for N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The canonical SMILES for N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine is CC(C)CP(C(C)C)N(C)C.
What is the InChIKey of N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The InChIKey is VESJJPINVDIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NP/c1-8(2)7-11(9(3)4)10(5)6/h8-9H,7H2,1-6H3.
What are the key properties of N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine has a molecular weight of 175.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methylpropyl(propan-2-yl)phosphanyl]methanamine is sourced from PubChem (CID 12935744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).