N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine

C9H23N2OP — CID 14744082

IUPACN-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine
SMILESCC(C)CCP(=O)(N(C)C)N(C)C
InChIInChI=1S/C9H23N2OP/c1-9(2)7-8-13(12,10(3)4)11(5)6/h9H,7-8H2,1-6H3
InChIKeyCEOXIOBLZJKVJJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.35
Rot. Bonds5

About N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine

N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine (PubChem CID 14744082) has the molecular formula C9H23N2OP and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine
PubChem CID14744082
Molecular FormulaC9H23N2OP
Molecular Weight206.27 g/mol
Exact Mass206.15
IUPAC NameN-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine
SMILESCC(C)CCP(=O)(N(C)C)N(C)C
InChIInChI=1S/C9H23N2OP/c1-9(2)7-8-13(12,10(3)4)11(5)6/h9H,7-8H2,1-6H3
InChIKeyCEOXIOBLZJKVJJ-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.35
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-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine (CID 14744082) is N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine is CC(C)CCP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine?
The InChIKey is CEOXIOBLZJKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2OP/c1-9(2)7-8-13(12,10(3)4)11(5)6/h9H,7-8H2,1-6H3.
What are the key properties of N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine?
N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine has a molecular weight of 206.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino(3-methylbutyl)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 14744082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).