N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide

C14H29IN4O — CID 111256916

IUPACN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(C)=O)NC1CCC(C)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-15-14(17-10-9-16-12(3)19)18-13-7-5-11(2)6-8-13;/h11,13H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18);1H
InChIKeyDAWCOVLCIWWOQZ-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.87
Rot. Bonds5

About N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide

N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide (PubChem CID 111256916) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
PubChem CID111256916
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC NameN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(C)=O)NC1CCC(C)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-4-15-14(17-10-9-16-12(3)19)18-13-7-5-11(2)6-8-13;/h11,13H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18);1H
InChIKeyDAWCOVLCIWWOQZ-UHFFFAOYSA-N
XLogP1.87
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.87
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-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256337
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110988783
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228
methyl 3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]propanoate
CID 111256875
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256328
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
2-(2-tert-butylsulfonylethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111829637
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111255717
N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 75532537

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide (CID 111256916) is N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide is CCN/C(=N\CCNC(C)=O)NC1CCC(C)CC1.I.
What is the InChIKey of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide?
The InChIKey is DAWCOVLCIWWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-4-15-14(17-10-9-16-12(3)19)18-13-7-5-11(2)6-8-13;/h11,13H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18);1H.
What are the key properties of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide?
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 111256916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).