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

C6H16FN2OP — CID 9738

IUPACN-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(F)NC(C)C
InChIInChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyUOSHUBFBCPGQAY-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.06
Rot. Bonds4

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

N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine (PubChem CID 9738) has the molecular formula C6H16FN2OP and a molecular weight of 182.18 g/mol. Its IUPAC name is N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
PubChem CID9738
Molecular FormulaC6H16FN2OP
Molecular Weight182.18 g/mol
Exact Mass182.10
IUPAC NameN-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(F)NC(C)C
InChIInChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyUOSHUBFBCPGQAY-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.06
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-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 23416058
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436
N-[fluoro(methylamino)phosphoryl]methanamine
CID 6451573
2-[fluoro(methyl)phosphoryl]propane
CID 23616463
N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468180
N-[amino(diaminophosphoryloxy)phosphinothioyl]propan-2-amine
CID 21113908
N-[amino-[amino-(propan-2-ylamino)phosphinothioyl]oxyphosphoryl]propan-2-amine
CID 21113925
(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine
CID 175773702
2-methyl-1-[methyl(propan-2-yl)phosphoryl]-N-propan-2-ylpropan-1-amine
CID 173498970
3-[bis(propan-2-ylamino)phosphorylamino]propanenitrile
CID 150895188
butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796

Frequently Asked Questions

What is the IUPAC name of N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The IUPAC name of N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine (CID 9738) is N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The canonical SMILES for N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine is CC(C)NP(=O)(F)NC(C)C.
What is the InChIKey of N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine?
The InChIKey is UOSHUBFBCPGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16FN2OP/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-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine?
N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine has a molecular weight of 182.18 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine is sourced from PubChem (CID 9738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).