N-butan-2-yl-N-diaminophosphorylbutan-2-amine

C8H22N3OP — CID 18763985

IUPACN-butan-2-yl-N-diaminophosphorylbutan-2-amine
SMILESCCC(C)N(C(C)CC)P(N)(N)=O
InChIInChI=1S/C8H22N3OP/c1-5-7(3)11(8(4)6-2)13(9,10)12/h7-8H,5-6H2,1-4H3,(H4,9,10,12)
InChIKeyBZCJOSUYZPMHKI-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.91
Rot. Bonds5

About N-butan-2-yl-N-diaminophosphorylbutan-2-amine

N-butan-2-yl-N-diaminophosphorylbutan-2-amine (PubChem CID 18763985) has the molecular formula C8H22N3OP and a molecular weight of 207.26 g/mol. Its IUPAC name is N-butan-2-yl-N-diaminophosphorylbutan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-diaminophosphorylbutan-2-amine
PubChem CID18763985
Molecular FormulaC8H22N3OP
Molecular Weight207.26 g/mol
Exact Mass207.15
IUPAC NameN-butan-2-yl-N-diaminophosphorylbutan-2-amine
SMILESCCC(C)N(C(C)CC)P(N)(N)=O
InChIInChI=1S/C8H22N3OP/c1-5-7(3)11(8(4)6-2)13(9,10)12/h7-8H,5-6H2,1-4H3,(H4,9,10,12)
InChIKeyBZCJOSUYZPMHKI-UHFFFAOYSA-N
XLogP1.91
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.91
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-diaminophosphoryl-N-propan-2-ylpropan-2-amine;N-propan-2-ylpropan-2-amine;dihydrochloride
CID 172837102
N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine
CID 18764103
N-diaminophosphoryl-N-methylpropan-2-amine
CID 56612317
N-diaminophosphoryl-N-ethylethanamine;dihydrochloride
CID 172846789
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
hydroxylamine;2-methylbutane
CID 175063986
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
[[1-aminopropan-2-yl(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid
CID 23134828
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
N-butan-2-yl-N-(2-methylpropyl)butan-2-amine
CID 87394017

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-diaminophosphorylbutan-2-amine?
The IUPAC name of N-butan-2-yl-N-diaminophosphorylbutan-2-amine (CID 18763985) is N-butan-2-yl-N-diaminophosphorylbutan-2-amine.
What is the SMILES notation for N-butan-2-yl-N-diaminophosphorylbutan-2-amine?
The canonical SMILES for N-butan-2-yl-N-diaminophosphorylbutan-2-amine is CCC(C)N(C(C)CC)P(N)(N)=O.
What is the InChIKey of N-butan-2-yl-N-diaminophosphorylbutan-2-amine?
The InChIKey is BZCJOSUYZPMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N3OP/c1-5-7(3)11(8(4)6-2)13(9,10)12/h7-8H,5-6H2,1-4H3,(H4,9,10,12).
What are the key properties of N-butan-2-yl-N-diaminophosphorylbutan-2-amine?
N-butan-2-yl-N-diaminophosphorylbutan-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-diaminophosphorylbutan-2-amine is sourced from PubChem (CID 18763985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).