4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide

C12H21N5O — CID 163457470

IUPAC4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide
SMILES[H]/N=C(N)/C(=N\C1CCCCC1C)C(=CN)C(N)=O
InChIInChI=1S/C12H21N5O/c1-7-4-2-3-5-9(7)17-10(11(14)15)8(6-13)12(16)18/h6-7,9H,2-5,13H2,1H3,(H3,14,15)(H2,16,18)/b8-6?,17-10-
InChIKeyFTFXJAGIMYCMDY-BKERVEAJSA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds4

About 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide

4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide (PubChem CID 163457470) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide.

Molecular Properties

Compound Name4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide
PubChem CID163457470
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide
SMILES[H]/N=C(N)/C(=N\C1CCCCC1C)C(=CN)C(N)=O
InChIInChI=1S/C12H21N5O/c1-7-4-2-3-5-9(7)17-10(11(14)15)8(6-13)12(16)18/h6-7,9H,2-5,13H2,1H3,(H3,14,15)(H2,16,18)/b8-6?,17-10-
InChIKeyFTFXJAGIMYCMDY-BKERVEAJSA-N
XLogP0.27
TPSA131.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylcyclohexyl)cyclopropanecarboximidamide
CID 63178920
(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide
CID 143678400
N'-(2-methylcyclohexyl)propanimidamide
CID 63178869
methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
CID 161104805
N'-(2-methylcyclopropyl)cyclohexanecarboximidamide
CID 63178369
1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
CID 176547008
(2Z)-3-amino-2-hydroxyimino-3-iminopropanoic acid
CID 137274222
2-cyclopropyl-2-oxoethanimidamide;hydrochloride
CID 55283804
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
CID 69123864
cyclopentanamine;(1Z)-1-(2-iminopropylidene)guanidine
CID 171101243
3-(2-methylcyclohexyl)oxypropanimidamide
CID 24704850

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide?
The IUPAC name of 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide (CID 163457470) is 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide.
What is the SMILES notation for 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide?
The canonical SMILES for 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide is [H]/N=C(N)/C(=N\C1CCCCC1C)C(=CN)C(N)=O.
What is the InChIKey of 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide?
The InChIKey is FTFXJAGIMYCMDY-BKERVEAJSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7-4-2-3-5-9(7)17-10(11(14)15)8(6-13)12(16)18/h6-7,9H,2-5,13H2,1H3,(H3,14,15)(H2,16,18)/b8-6?,17-10-.
What are the key properties of 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide?
4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide has a molecular weight of 251.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide is sourced from PubChem (CID 163457470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).