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

C8H20NP — CID 88553425

IUPAC[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
SMILESCC(C)CP(CN)C(C)C
InChIInChI=1S/C8H20NP/c1-7(2)5-10(6-9)8(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyZHMDCMWOCAXCAP-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.45
Rot. Bonds4

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

[2-methylpropyl(propan-2-yl)phosphanyl]methanamine (PubChem CID 88553425) has the molecular formula C8H20NP and a molecular weight of 161.23 g/mol. Its IUPAC name is [2-methylpropyl(propan-2-yl)phosphanyl]methanamine.

Molecular Properties

Compound Name[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
PubChem CID88553425
Molecular FormulaC8H20NP
Molecular Weight161.23 g/mol
Exact Mass161.13
IUPAC Name[2-methylpropyl(propan-2-yl)phosphanyl]methanamine
SMILESCC(C)CP(CN)C(C)C
InChIInChI=1S/C8H20NP/c1-7(2)5-10(6-9)8(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyZHMDCMWOCAXCAP-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The IUPAC name of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine (CID 88553425) is [2-methylpropyl(propan-2-yl)phosphanyl]methanamine.
What is the SMILES notation for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The canonical SMILES for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine is CC(C)CP(CN)C(C)C.
What is the InChIKey of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The InChIKey is ZHMDCMWOCAXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NP/c1-7(2)5-10(6-9)8(3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
[2-methylpropyl(propan-2-yl)phosphanyl]methanamine has a molecular weight of 161.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine is sourced from PubChem (CID 88553425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).