N-[butyl(methylamino)phosphoryl]methanamine

C6H17N2OP — CID 154123378

IUPACN-[butyl(methylamino)phosphoryl]methanamine
SMILESCCCCP(=O)(NC)NC
InChIInChI=1S/C6H17N2OP/c1-4-5-6-10(9,7-2)8-3/h4-6H2,1-3H3,(H2,7,8,9)
InChIKeyMQANGUAOOUEVPA-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.42
Rot. Bonds5

About N-[butyl(methylamino)phosphoryl]methanamine

N-[butyl(methylamino)phosphoryl]methanamine (PubChem CID 154123378) has the molecular formula C6H17N2OP and a molecular weight of 164.19 g/mol. Its IUPAC name is N-[butyl(methylamino)phosphoryl]methanamine.

Molecular Properties

Compound NameN-[butyl(methylamino)phosphoryl]methanamine
PubChem CID154123378
Molecular FormulaC6H17N2OP
Molecular Weight164.19 g/mol
Exact Mass164.11
IUPAC NameN-[butyl(methylamino)phosphoryl]methanamine
SMILESCCCCP(=O)(NC)NC
InChIInChI=1S/C6H17N2OP/c1-4-5-6-10(9,7-2)8-3/h4-6H2,1-3H3,(H2,7,8,9)
InChIKeyMQANGUAOOUEVPA-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
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(methylamino)phosphoryl]methanamine?
The IUPAC name of N-[butyl(methylamino)phosphoryl]methanamine (CID 154123378) is N-[butyl(methylamino)phosphoryl]methanamine.
What is the SMILES notation for N-[butyl(methylamino)phosphoryl]methanamine?
The canonical SMILES for N-[butyl(methylamino)phosphoryl]methanamine is CCCCP(=O)(NC)NC.
What is the InChIKey of N-[butyl(methylamino)phosphoryl]methanamine?
The InChIKey is MQANGUAOOUEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2OP/c1-4-5-6-10(9,7-2)8-3/h4-6H2,1-3H3,(H2,7,8,9).
What are the key properties of N-[butyl(methylamino)phosphoryl]methanamine?
N-[butyl(methylamino)phosphoryl]methanamine has a molecular weight of 164.19 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(methylamino)phosphoryl]methanamine is sourced from PubChem (CID 154123378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).