N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine

C9H24N3OP — CID 18764103

IUPACN-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine
SMILESCCC(C)NP(N)(=O)N(C)C(C)CC
InChIInChI=1S/C9H24N3OP/c1-6-8(3)11-14(10,13)12(5)9(4)7-2/h8-9H,6-7H2,1-5H3,(H3,10,11,13)
InChIKeyIYKSMGFBYSZQNZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.17
Rot. Bonds6

About N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine

N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine (PubChem CID 18764103) has the molecular formula C9H24N3OP and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine.

Molecular Properties

Compound NameN-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine
PubChem CID18764103
Molecular FormulaC9H24N3OP
Molecular Weight221.28 g/mol
Exact Mass221.17
IUPAC NameN-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine
SMILESCCC(C)NP(N)(=O)N(C)C(C)CC
InChIInChI=1S/C9H24N3OP/c1-6-8(3)11-14(10,13)12(5)9(4)7-2/h8-9H,6-7H2,1-5H3,(H3,10,11,13)
InChIKeyIYKSMGFBYSZQNZ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.17
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-butan-2-yl-N-diaminophosphorylbutan-2-amine
CID 18763985
N-diaminophosphoryl-N-methylpropan-2-amine
CID 56612317
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
N-[ethoxy(propoxy)phosphoryl]-N-methylpropan-2-amine
CID 170850998
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
butan-2-ylhydrazine;dihydrate;hydrochloride
CID 86811571
N"-butan-2-yl-N',N"-dimethylmethanetriamine
CID 129045479
2-N-butan-2-yl-2-methylpropane-1,2-diamine
CID 65382863
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
CID 154954484

Frequently Asked Questions

What is the IUPAC name of N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine?
The IUPAC name of N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine (CID 18764103) is N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine.
What is the SMILES notation for N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine?
The canonical SMILES for N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine is CCC(C)NP(N)(=O)N(C)C(C)CC.
What is the InChIKey of N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine?
The InChIKey is IYKSMGFBYSZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3OP/c1-6-8(3)11-14(10,13)12(5)9(4)7-2/h8-9H,6-7H2,1-5H3,(H3,10,11,13).
What are the key properties of N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine?
N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine is sourced from PubChem (CID 18764103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).