[[(2S)-2-amino-3-methylbutylidene]amino]urea

C6H14N4O — CID 54307838

IUPAC[[(2S)-2-amino-3-methylbutylidene]amino]urea
SMILESCC(C)[C@H](N)C=NNC(N)=O
InChIInChI=1S/C6H14N4O/c1-4(2)5(7)3-9-10-6(8)11/h3-5H,7H2,1-2H3,(H3,8,10,11)/t5-/m1/s1
InChIKeySIUBSKWUGUTLIV-RXMQYKEDSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds3

About [[(2S)-2-amino-3-methylbutylidene]amino]urea

[[(2S)-2-amino-3-methylbutylidene]amino]urea (PubChem CID 54307838) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is [[(2S)-2-amino-3-methylbutylidene]amino]urea.

Molecular Properties

Compound Name[[(2S)-2-amino-3-methylbutylidene]amino]urea
PubChem CID54307838
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name[[(2S)-2-amino-3-methylbutylidene]amino]urea
SMILESCC(C)[C@H](N)C=NNC(N)=O
InChIInChI=1S/C6H14N4O/c1-4(2)5(7)3-9-10-6(8)11/h3-5H,7H2,1-2H3,(H3,8,10,11)/t5-/m1/s1
InChIKeySIUBSKWUGUTLIV-RXMQYKEDSA-N
XLogP-0.38
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea
CID 90989308
[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea
CID 119098460
[(E)-(2-methyl-3-phenylpropylidene)amino]urea
CID 121221650
[(E)-2-oxopropylideneamino]urea
CID 13238217
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea
CID 129449936
[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride
CID 24838835
[(E)-2-oxobutylideneamino]urea
CID 55288593
[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
CID 54254998
[(E)-cyanomethylideneamino]urea
CID 14898848
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810

Frequently Asked Questions

What is the IUPAC name of [[(2S)-2-amino-3-methylbutylidene]amino]urea?
The IUPAC name of [[(2S)-2-amino-3-methylbutylidene]amino]urea (CID 54307838) is [[(2S)-2-amino-3-methylbutylidene]amino]urea.
What is the SMILES notation for [[(2S)-2-amino-3-methylbutylidene]amino]urea?
The canonical SMILES for [[(2S)-2-amino-3-methylbutylidene]amino]urea is CC(C)[C@H](N)C=NNC(N)=O.
What is the InChIKey of [[(2S)-2-amino-3-methylbutylidene]amino]urea?
The InChIKey is SIUBSKWUGUTLIV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H14N4O/c1-4(2)5(7)3-9-10-6(8)11/h3-5H,7H2,1-2H3,(H3,8,10,11)/t5-/m1/s1.
What are the key properties of [[(2S)-2-amino-3-methylbutylidene]amino]urea?
[[(2S)-2-amino-3-methylbutylidene]amino]urea has a molecular weight of 158.20 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-amino-3-methylbutylidene]amino]urea is sourced from PubChem (CID 54307838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).