1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea

C14H26N4OS — CID 7934141

IUPAC1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC1CCC(=NNC(=S)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4OS/c1-12-2-4-13(5-3-12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-
InChIKeyKAXXZZKAVREEOA-SSZFMOIBSA-N
MW298.46 g/mol
LogP1.35
Rot. Bonds4

About 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 7934141) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID7934141
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC1CCC(=NNC(=S)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4OS/c1-12-2-4-13(5-3-12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-
InChIKeyKAXXZZKAVREEOA-SSZFMOIBSA-N
XLogP1.35
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-butan-2-ylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934132
1-[(Z)-butan-2-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 7934133
1-[(4-Methylcyclohexylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934140
1-(Cycloheptylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934144
1-(Cycloheptylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934145
1-(2-Adamantylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934162
1-(2-Adamantylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934163
1-(2,6-Dimethylheptan-4-ylideneamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934164
1-(2,6-Dimethylheptan-4-ylideneamino)-3-(2-morpholin-4-ylethyl)thiourea
CID 7934165
1-(2-Morpholin-4-ium-4-ylethyl)-3-(pentan-3-ylideneamino)thiourea
CID 7934182
1-(2-Morpholin-4-ylethyl)-3-(pentan-3-ylideneamino)thiourea
CID 7934183
1-[(4-Tert-butylcyclohexylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934198

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea (CID 7934141) is 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea is CC1CCC(=NNC(=S)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is KAXXZZKAVREEOA-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-12-2-4-13(5-3-12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-.
What are the key properties of 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 298.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexylidene)amino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 7934141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).