1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea

C10H23N7O2 — CID 163895940

IUPAC1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea
SMILES[H]/N=C/CC(C)(CC(C)(C)NC(=O)NN)NC(=O)NN
InChIInChI=1S/C10H23N7O2/c1-9(2,14-7(18)16-12)6-10(3,4-5-11)15-8(19)17-13/h5,11H,4,6,12-13H2,1-3H3,(H2,14,16,18)(H2,15,17,19)/b11-5+
InChIKeyQFPLVTOIJZDTIK-VZUCSPMQSA-N
MW273.34 g/mol
LogP-0.70
Rot. Bonds6

About 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea

1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea (PubChem CID 163895940) has the molecular formula C10H23N7O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea.

Molecular Properties

Compound Name1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea
PubChem CID163895940
Molecular FormulaC10H23N7O2
Molecular Weight273.34 g/mol
Exact Mass273.19
IUPAC Name1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea
SMILES[H]/N=C/CC(C)(CC(C)(C)NC(=O)NN)NC(=O)NN
InChIInChI=1S/C10H23N7O2/c1-9(2,14-7(18)16-12)6-10(3,4-5-11)15-8(19)17-13/h5,11H,4,6,12-13H2,1-3H3,(H2,14,16,18)(H2,15,17,19)/b11-5+
InChIKeyQFPLVTOIJZDTIK-VZUCSPMQSA-N
XLogP-0.70
TPSA158.15 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea with MolForge

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Related Compounds

1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
bis(2-iminoethyl) butanedioate
CID 174310749
4-imino-2-methylbutanamide
CID 174442854
3,3-difluoropentan-1-imine
CID 155280926
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108911441
3-imino-N-methoxypropanamide
CID 90877938
2-(2-iminoethylamino)ethyl (2R)-2-amino-2-methyl-3-sulfanylpropanoate
CID 87967845
methyl (E)-2-amino-7-(2-iminoethylamino)-2-methylhept-5-enoate
CID 141051437
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea?
The IUPAC name of 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea (CID 163895940) is 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea.
What is the SMILES notation for 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea?
The canonical SMILES for 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea is [H]/N=C/CC(C)(CC(C)(C)NC(=O)NN)NC(=O)NN.
What is the InChIKey of 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea?
The InChIKey is QFPLVTOIJZDTIK-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H23N7O2/c1-9(2,14-7(18)16-12)6-10(3,4-5-11)15-8(19)17-13/h5,11H,4,6,12-13H2,1-3H3,(H2,14,16,18)(H2,15,17,19)/b11-5+.
What are the key properties of 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea?
1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea has a molecular weight of 273.34 g/mol, XLogP of -0.70, 6 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(hydrazinecarbonylamino)-6-imino-2,4-dimethylhexan-2-yl]urea is sourced from PubChem (CID 163895940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).