3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine

C9H25N4OP — CID 54373954

IUPAC3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine
SMILESCC(N)C(C)N(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C9H25N4OP/c1-8(10)9(2)13(7)15(14,11(3)4)12(5)6/h8-9H,10H2,1-7H3
InChIKeyUVDYHASLRLYPEX-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.89
Rot. Bonds5

About 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine

3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine (PubChem CID 54373954) has the molecular formula C9H25N4OP and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine
PubChem CID54373954
Molecular FormulaC9H25N4OP
Molecular Weight236.30 g/mol
Exact Mass236.18
IUPAC Name3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine
SMILESCC(N)C(C)N(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C9H25N4OP/c1-8(10)9(2)13(7)15(14,11(3)4)12(5)6/h8-9H,10H2,1-7H3
InChIKeyUVDYHASLRLYPEX-UHFFFAOYSA-N
XLogP0.89
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-3-N-propan-2-ylbutane-2,3-diamine
CID 61352164
N-diaminophosphoryl-N-methylpropan-2-amine
CID 56612317
(3R)-butane-2,3-diamine
CID 172719520
(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
CID 102246344
3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
CID 79850078
amino(dimethylamino)phosphinic acid
CID 14226794
(2S,3R)-3-bromobutan-2-amine
CID 13495075
[1-hydroxyethyl(methyl)amino]phosphonic acid
CID 87959522
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
N-dimethoxyphosphoryl-N-methylpropan-2-amine
CID 14339947

Frequently Asked Questions

What is the IUPAC name of 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine?
The IUPAC name of 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine (CID 54373954) is 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine.
What is the SMILES notation for 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine?
The canonical SMILES for 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine is CC(N)C(C)N(C)P(=O)(N(C)C)N(C)C.
What is the InChIKey of 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine?
The InChIKey is UVDYHASLRLYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25N4OP/c1-8(10)9(2)13(7)15(14,11(3)4)12(5)6/h8-9H,10H2,1-7H3.
What are the key properties of 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine?
3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine has a molecular weight of 236.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[bis(dimethylamino)phosphoryl]-3-N-methylbutane-2,3-diamine is sourced from PubChem (CID 54373954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).