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

C8H20NP — CID 134894940

IUPACN-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine
SMILESCCCP(C(C)C)N(C)C
InChIInChI=1S/C8H20NP/c1-6-7-10(8(2)3)9(4)5/h8H,6-7H2,1-5H3
InChIKeyLYDQISBWAPZOEG-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.76
Rot. Bonds4

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

N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine (PubChem CID 134894940) has the molecular formula C8H20NP and a molecular weight of 161.23 g/mol. Its IUPAC name is N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine
PubChem CID134894940
Molecular FormulaC8H20NP
Molecular Weight161.23 g/mol
Exact Mass161.13
IUPAC NameN-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine
SMILESCCCP(C(C)C)N(C)C
InChIInChI=1S/C8H20NP/c1-6-7-10(8(2)3)9(4)5/h8H,6-7H2,1-5H3
InChIKeyLYDQISBWAPZOEG-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
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 N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine?
The IUPAC name of N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine (CID 134894940) is N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine.
What is the SMILES notation for N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine?
The canonical SMILES for N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine is CCCP(C(C)C)N(C)C.
What is the InChIKey of N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine?
The InChIKey is LYDQISBWAPZOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NP/c1-6-7-10(8(2)3)9(4)5/h8H,6-7H2,1-5H3.
What are the key properties of N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine?
N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine has a molecular weight of 161.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[propan-2-yl(propyl)phosphanyl]methanamine is sourced from PubChem (CID 134894940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).