N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride

C12H35Cl2N4OP — CID 172837102

IUPACN-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride
SMILESCC(C)N(C(C)C)P(N)(N)=O.CC(C)NC(C)C.Cl.Cl
InChIInChI=1S/C6H18N3OP.C6H15N.2ClH/c1-5(2)9(6(3)4)11(7,8)10;1-5(2)7-6(3)4;;/h5-6H,1-4H3,(H4,7,8,10);5-7H,1-4H3;2*1H
InChIKeyWHHKMPRUHWDIGR-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.37
Rot. Bonds5

About N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride

N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride (PubChem CID 172837102) has the molecular formula C12H35Cl2N4OP and a molecular weight of 353.32 g/mol. Its IUPAC name is N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride
PubChem CID172837102
Molecular FormulaC12H35Cl2N4OP
Molecular Weight353.32 g/mol
Exact Mass352.19
IUPAC NameN-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride
SMILESCC(C)N(C(C)C)P(N)(N)=O.CC(C)NC(C)C.Cl.Cl
InChIInChI=1S/C6H18N3OP.C6H15N.2ClH/c1-5(2)9(6(3)4)11(7,8)10;1-5(2)7-6(3)4;;/h5-6H,1-4H3,(H4,7,8,10);5-7H,1-4H3;2*1H
InChIKeyWHHKMPRUHWDIGR-UHFFFAOYSA-N
XLogP3.37
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 157069346
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CID 56612317
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CID 87569665
CID 87569665
CID 174625889
CID 174625889
lithium;sodium;N-propan-2-ylpropan-2-amine;dihydroxide
CID 158295397
dilithium;magnesium;hydride;N-propan-2-ylpropan-2-amine;trichloride
CID 175311174
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
lithium;benzene;hydride;N-propan-2-ylpropan-2-amine
CID 174790507
ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
CID 142338134

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride?
The IUPAC name of N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride (CID 172837102) is N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride.
What is the SMILES notation for N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride?
The canonical SMILES for N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride is CC(C)N(C(C)C)P(N)(N)=O.CC(C)NC(C)C.Cl.Cl.
What is the InChIKey of N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride?
The InChIKey is WHHKMPRUHWDIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3OP.C6H15N.2ClH/c1-5(2)9(6(3)4)11(7,8)10;1-5(2)7-6(3)4;;/h5-6H,1-4H3,(H4,7,8,10);5-7H,1-4H3;2*1H.
What are the key properties of N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride?
N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride has a molecular weight of 353.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 172837102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).