N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine

C12H30N3OP — CID 2754825

IUPACN-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine
SMILESCC(C)CNP(=O)(NCC(C)C)NCC(C)C
InChIInChI=1S/C12H30N3OP/c1-10(2)7-13-17(16,14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3,(H3,13,14,15,16)
InChIKeyWEGIHSDBKDJFOF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.83
Rot. Bonds9

About N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine

N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine (PubChem CID 2754825) has the molecular formula C12H30N3OP and a molecular weight of 263.37 g/mol. Its IUPAC name is N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine
PubChem CID2754825
Molecular FormulaC12H30N3OP
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine
SMILESCC(C)CNP(=O)(NCC(C)C)NCC(C)C
InChIInChI=1S/C12H30N3OP/c1-10(2)7-13-17(16,14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3,(H3,13,14,15,16)
InChIKeyWEGIHSDBKDJFOF-UHFFFAOYSA-N
XLogP2.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175939227
CID 175939227
N-(2-methylpropyl)sulfamate
CID 59847903
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
1-(3,5-dihydroxyphenyl)-3-(2-methylpropyl)urea
CID 108895351
(2-methylpropylamino)urea
CID 55285405
sodium N-[ethoxy(oxido)phosphinothioyl]-2-methylpropan-1-amine
CID 23679326
1-hydroxy-1-methyl-3-(2-methylpropyl)urea
CID 55286879
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
CID 142721497
N-(2-methoxyethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814915
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
N,2-dimethylpropan-1-amine;methanamine
CID 144585140

Frequently Asked Questions

What is the IUPAC name of N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine?
The IUPAC name of N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine (CID 2754825) is N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine.
What is the SMILES notation for N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine?
The canonical SMILES for N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine is CC(C)CNP(=O)(NCC(C)C)NCC(C)C.
What is the InChIKey of N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine?
The InChIKey is WEGIHSDBKDJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N3OP/c1-10(2)7-13-17(16,14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3,(H3,13,14,15,16).
What are the key properties of N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine?
N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine is sourced from PubChem (CID 2754825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).