N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine

C6H16ClN2OP — CID 23416058

IUPACN-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(Cl)NC(C)C
InChIInChI=1S/C6H16ClN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyNESUTQAQAFWQIP-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.33
Rot. Bonds4

About N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine

N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine (PubChem CID 23416058) has the molecular formula C6H16ClN2OP and a molecular weight of 198.63 g/mol. Its IUPAC name is N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
PubChem CID23416058
Molecular FormulaC6H16ClN2OP
Molecular Weight198.63 g/mol
Exact Mass198.07
IUPAC NameN-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(Cl)NC(C)C
InChIInChI=1S/C6H16ClN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyNESUTQAQAFWQIP-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 9738
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
(2S)-N-[chloro(methyl)phosphoryl]-3-methylbutan-2-amine
CID 90244124
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436
2-[2-[chloro(methyl)phosphoryl]-2-(propan-2-ylamino)hydrazinyl]propane
CID 140673569
N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468180
bis(N-methylmethanamine);phosphoryl trichloride
CID 87999351
N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine
CID 21113908
N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
CID 21113925
N-[chloro(ethylamino)phosphoryl]ethanamine
CID 23416057
2-dichlorophosphorylsulfanylpropane
CID 14350603

Frequently Asked Questions

What is the IUPAC name of N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The IUPAC name of N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine (CID 23416058) is N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The canonical SMILES for N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine is CC(C)NP(=O)(Cl)NC(C)C.
What is the InChIKey of N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The InChIKey is NESUTQAQAFWQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16ClN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10).
What are the key properties of N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine?
N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine has a molecular weight of 198.63 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine is sourced from PubChem (CID 23416058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).