N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine

C8H21N2OP — CID 14744076

IUPACN-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCCCCP(=O)(N(C)C)N(C)C
InChIInChI=1S/C8H21N2OP/c1-6-7-8-12(11,9(2)3)10(4)5/h6-8H2,1-5H3
InChIKeySKMILNXJUXSUJV-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.10
Rot. Bonds5

About N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine

N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 14744076) has the molecular formula C8H21N2OP and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID14744076
Molecular FormulaC8H21N2OP
Molecular Weight192.24 g/mol
Exact Mass192.14
IUPAC NameN-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCCCCP(=O)(N(C)C)N(C)C
InChIInChI=1S/C8H21N2OP/c1-6-7-8-12(11,9(2)3)10(4)5/h6-8H2,1-5H3
InChIKeySKMILNXJUXSUJV-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.10
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-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine (CID 14744076) is N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine is CCCCP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is SKMILNXJUXSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2OP/c1-6-7-8-12(11,9(2)3)10(4)5/h6-8H2,1-5H3.
What are the key properties of N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 192.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 14744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).