N-[bis(2-methylpropyl)phosphoryl]propan-2-amine

C11H26NOP — CID 157116436

IUPACN-[bis(2-methylpropyl)phosphoryl]propan-2-amine
SMILESCC(C)CP(=O)(CC(C)C)NC(C)C
InChIInChI=1S/C11H26NOP/c1-9(2)7-14(13,8-10(3)4)12-11(5)6/h9-11H,7-8H2,1-6H3,(H,12,13)
InChIKeyGYZGFNXBCLAFQL-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.57
Rot. Bonds6

About N-[bis(2-methylpropyl)phosphoryl]propan-2-amine

N-[bis(2-methylpropyl)phosphoryl]propan-2-amine (PubChem CID 157116436) has the molecular formula C11H26NOP and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[bis(2-methylpropyl)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[bis(2-methylpropyl)phosphoryl]propan-2-amine
PubChem CID157116436
Molecular FormulaC11H26NOP
Molecular Weight219.31 g/mol
Exact Mass219.18
IUPAC NameN-[bis(2-methylpropyl)phosphoryl]propan-2-amine
SMILESCC(C)CP(=O)(CC(C)C)NC(C)C
InChIInChI=1S/C11H26NOP/c1-9(2)7-14(13,8-10(3)4)12-11(5)6/h9-11H,7-8H2,1-6H3,(H,12,13)
InChIKeyGYZGFNXBCLAFQL-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropyl)phosphinic acid
CID 10233207
N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 9738
N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 23416058
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468180
sodium methyl(2-methylpropyl)phosphinate
CID 141477458
tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
tris(1-[bis(2-methylpropyl)phosphoryl]-2-methylpropane);holmium(3+);trinitrate
CID 139045509
1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
CID 71563447
N-bis(2-methylpropylamino)phosphoryl-2-methylpropan-1-amine
CID 2754825
3-[bis(propan-2-ylamino)phosphorylamino]propanenitrile
CID 150895188

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-methylpropyl)phosphoryl]propan-2-amine?
The IUPAC name of N-[bis(2-methylpropyl)phosphoryl]propan-2-amine (CID 157116436) is N-[bis(2-methylpropyl)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[bis(2-methylpropyl)phosphoryl]propan-2-amine?
The canonical SMILES for N-[bis(2-methylpropyl)phosphoryl]propan-2-amine is CC(C)CP(=O)(CC(C)C)NC(C)C.
What is the InChIKey of N-[bis(2-methylpropyl)phosphoryl]propan-2-amine?
The InChIKey is GYZGFNXBCLAFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NOP/c1-9(2)7-14(13,8-10(3)4)12-11(5)6/h9-11H,7-8H2,1-6H3,(H,12,13).
What are the key properties of N-[bis(2-methylpropyl)phosphoryl]propan-2-amine?
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine has a molecular weight of 219.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-methylpropyl)phosphoryl]propan-2-amine is sourced from PubChem (CID 157116436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).