N-bis(propan-2-ylamino)phosphorylpropan-2-amine

C9H24N3OP — CID 547268

IUPACN-bis(propan-2-ylamino)phosphorylpropan-2-amine
SMILESCC(C)NP(=O)(NC(C)C)NC(C)C
InChIInChI=1S/C9H24N3OP/c1-7(2)10-14(13,11-8(3)4)12-9(5)6/h7-9H,1-6H3,(H3,10,11,12,13)
InChIKeyRCAKCNRKQGZEOT-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.09
Rot. Bonds6

About N-bis(propan-2-ylamino)phosphorylpropan-2-amine

N-bis(propan-2-ylamino)phosphorylpropan-2-amine (PubChem CID 547268) has the molecular formula C9H24N3OP and a molecular weight of 221.28 g/mol. Its IUPAC name is N-bis(propan-2-ylamino)phosphorylpropan-2-amine.

Molecular Properties

Compound NameN-bis(propan-2-ylamino)phosphorylpropan-2-amine
PubChem CID547268
Molecular FormulaC9H24N3OP
Molecular Weight221.28 g/mol
Exact Mass221.17
IUPAC NameN-bis(propan-2-ylamino)phosphorylpropan-2-amine
SMILESCC(C)NP(=O)(NC(C)C)NC(C)C
InChIInChI=1S/C9H24N3OP/c1-7(2)10-14(13,11-8(3)4)12-9(5)6/h7-9H,1-6H3,(H3,10,11,12,13)
InChIKeyRCAKCNRKQGZEOT-UHFFFAOYSA-N
XLogP2.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.09
H-Bond Donors ≤ 53
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-bis(propan-2-ylamino)phosphorylpropan-2-amine?
The IUPAC name of N-bis(propan-2-ylamino)phosphorylpropan-2-amine (CID 547268) is N-bis(propan-2-ylamino)phosphorylpropan-2-amine.
What is the SMILES notation for N-bis(propan-2-ylamino)phosphorylpropan-2-amine?
The canonical SMILES for N-bis(propan-2-ylamino)phosphorylpropan-2-amine is CC(C)NP(=O)(NC(C)C)NC(C)C.
What is the InChIKey of N-bis(propan-2-ylamino)phosphorylpropan-2-amine?
The InChIKey is RCAKCNRKQGZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3OP/c1-7(2)10-14(13,11-8(3)4)12-9(5)6/h7-9H,1-6H3,(H3,10,11,12,13).
What are the key properties of N-bis(propan-2-ylamino)phosphorylpropan-2-amine?
N-bis(propan-2-ylamino)phosphorylpropan-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(propan-2-ylamino)phosphorylpropan-2-amine is sourced from PubChem (CID 547268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).