N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide

C21H32N4O — CID 111961695

IUPACN-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NC1CC1C
InChIInChI=1S/C21H32N4O/c1-3-22-21(25-19-12-15(19)2)23-14-16-8-7-11-18(13-16)24-20(26)17-9-5-4-6-10-17/h7-8,11,13,15,17,19H,3-6,9-10,12,14H2,1-2H3,(H,24,26)(H2,22,23,25)
InChIKeyQFYLTFKFTCOYFT-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.67
Rot. Bonds6

About N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 111961695) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID111961695
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
SMILESCCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NC1CC1C
InChIInChI=1S/C21H32N4O/c1-3-22-21(25-19-12-15(19)2)23-14-16-8-7-11-18(13-16)24-20(26)17-9-5-4-6-10-17/h7-8,11,13,15,17,19H,3-6,9-10,12,14H2,1-2H3,(H,24,26)(H2,22,23,25)
InChIKeyQFYLTFKFTCOYFT-UHFFFAOYSA-N
XLogP3.67
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 110981162
N-[3-[[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 111142566
N-[3-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111901141
N-[3-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111870181
N-[3-[[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 111019888
N-[3-[[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111527982
N-[3-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111223219
N-[3-[[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 111929758
N-[3-[[[ethylamino-(pentylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111129568
ethyl 4-[[N'-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328483
N-[3-[[[ethylamino-[(3-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111250181
N-[3-[[[ethylamino-[3-(2-methoxyethoxy)propylamino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111404855

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide (CID 111961695) is N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide is CCN/C(=N\Cc1cccc(NC(=O)C2CCCCC2)c1)NC1CC1C.
What is the InChIKey of N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is QFYLTFKFTCOYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-22-21(25-19-12-15(19)2)23-14-16-8-7-11-18(13-16)24-20(26)17-9-5-4-6-10-17/h7-8,11,13,15,17,19H,3-6,9-10,12,14H2,1-2H3,(H,24,26)(H2,22,23,25).
What are the key properties of N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 111961695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).