2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C15H31IN4O — CID 111090832

IUPAC2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(=O)NC1CCCCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-2-3-4-8-11-17-15(16)18-12-14(20)19-13-9-6-5-7-10-13;/h13H,2-12H2,1H3,(H,19,20)(H3,16,17,18);1H
InChIKeyKOOIAZWKWROLHR-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.54
Rot. Bonds8

About 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 111090832) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID111090832
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(=O)NC1CCCCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-2-3-4-8-11-17-15(16)18-12-14(20)19-13-9-6-5-7-10-13;/h13H,2-12H2,1H3,(H,19,20)(H3,16,17,18);1H
InChIKeyKOOIAZWKWROLHR-UHFFFAOYSA-N
XLogP2.54
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032059
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090889
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclohexyl-2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 111626949

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 111090832) is 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is CCCCCCN/C(N)=N/CC(=O)NC1CCCCC1.I.
What is the InChIKey of 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is KOOIAZWKWROLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-2-3-4-8-11-17-15(16)18-12-14(20)19-13-9-6-5-7-10-13;/h13H,2-12H2,1H3,(H,19,20)(H3,16,17,18);1H.
What are the key properties of 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 111090832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).