3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine

C10H28N4O2 — CID 160941583

IUPAC3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
SMILESC.CC.CC(CN=C(N)N)C(=O)O.CNC
InChIInChI=1S/C5H11N3O2.C2H7N.C2H6.CH4/c1-3(4(9)10)2-8-5(6)7;1-3-2;1-2;/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);3H,1-2H3;1-2H3;1H4
InChIKeySUOOZRBBRFMYEI-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.48
Rot. Bonds3

About 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine

3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine (PubChem CID 160941583) has the molecular formula C10H28N4O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine.

Molecular Properties

Compound Name3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
PubChem CID160941583
Molecular FormulaC10H28N4O2
Molecular Weight236.36 g/mol
Exact Mass236.22
IUPAC Name3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
SMILESC.CC.CC(CN=C(N)N)C(=O)O.CNC
InChIInChI=1S/C5H11N3O2.C2H7N.C2H6.CH4/c1-3(4(9)10)2-8-5(6)7;1-3-2;1-2;/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);3H,1-2H3;1-2H3;1H4
InChIKeySUOOZRBBRFMYEI-UHFFFAOYSA-N
XLogP0.48
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2,4-dimethyl-3-oxopentyl]guanidine;2-[(2R)-2,4-dimethyl-3-oxopentyl]guanidine;2-(2,4-dimethyl-3-oxopentyl)guanidine;methane
CID 158049134
3-(diaminomethylideneamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 54445418
(2R)-2-(carboxymethylamino)-5-(diaminomethylideneamino)-4-methylpentanoic acid
CID 90787116
2,5-bis(methylamino)hexanediamide
CID 66221520
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
4-amino-2-methyl-5-(methylamino)pentanoic acid
CID 142843506
(2S)-5-(diaminomethylideneamino)-4-methyl-2-nitramidopentanoic acid
CID 54298748
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
3-(2-carboxypropyldiazenyl)-2-methylpropanoic acid;nitrous acid
CID 87649830
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2R)-5-(diaminomethylideneamino)-2-[[(2S)-1,1-dihydroxypropan-2-yl]amino]pentanoic acid
CID 57329063

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine?
The IUPAC name of 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine (CID 160941583) is 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine.
What is the SMILES notation for 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine?
The canonical SMILES for 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine is C.CC.CC(CN=C(N)N)C(=O)O.CNC.
What is the InChIKey of 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine?
The InChIKey is SUOOZRBBRFMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2.C2H7N.C2H6.CH4/c1-3(4(9)10)2-8-5(6)7;1-3-2;1-2;/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);3H,1-2H3;1-2H3;1H4.
What are the key properties of 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine?
3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine is sourced from PubChem (CID 160941583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).