3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C24H46N6O2 — CID 144703190

IUPAC3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(NC2NCCC(NC3CCCC(C(=O)NCCN4CCOCC4)C3)N2)C1
InChIInChI=1S/C24H46N6O2/c1-18-4-2-6-20(16-18)28-24-26-9-8-22(29-24)27-21-7-3-5-19(17-21)23(31)25-10-11-30-12-14-32-15-13-30/h18-22,24,26-29H,2-17H2,1H3,(H,25,31)
InChIKeyCSIWEFIRTNFSRN-UHFFFAOYSA-N
MW450.67 g/mol
LogP0.94
Rot. Bonds8

About 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 144703190) has the molecular formula C24H46N6O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID144703190
Molecular FormulaC24H46N6O2
Molecular Weight450.67 g/mol
Exact Mass450.37
IUPAC Name3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(NC2NCCC(NC3CCCC(C(=O)NCCN4CCOCC4)C3)N2)C1
InChIInChI=1S/C24H46N6O2/c1-18-4-2-6-20(16-18)28-24-26-9-8-22(29-24)27-21-7-3-5-19(17-21)23(31)25-10-11-30-12-14-32-15-13-30/h18-22,24,26-29H,2-17H2,1H3,(H,25,31)
InChIKeyCSIWEFIRTNFSRN-UHFFFAOYSA-N
XLogP0.94
TPSA89.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 110039545
2-amino-5-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 65454339
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 109133868
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106326768
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120645418

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 144703190) is 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is CC1CCCC(NC2NCCC(NC3CCCC(C(=O)NCCN4CCOCC4)C3)N2)C1.
What is the InChIKey of 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is CSIWEFIRTNFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6O2/c1-18-4-2-6-20(16-18)28-24-26-9-8-22(29-24)27-21-7-3-5-19(17-21)23(31)25-10-11-30-12-14-32-15-13-30/h18-22,24,26-29H,2-17H2,1H3,(H,25,31).
What are the key properties of 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 450.67 g/mol, XLogP of 0.94, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-methylcyclohexyl)amino]-1,3-diazinan-4-yl]amino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 144703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).