N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide

C20H36N2O2 — CID 124778988

IUPACN-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCCCC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C20H36N2O2/c1-15-9-3-5-11-17(15)21-19(23)13-7-8-14-20(24)22-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m0/s1
InChIKeyUDDGHAVCOMOMJE-MHORFTMASA-N
MW336.52 g/mol
LogP3.94
Rot. Bonds7

About N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide

N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide (PubChem CID 124778988) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
PubChem CID124778988
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCCCC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C20H36N2O2/c1-15-9-3-5-11-17(15)21-19(23)13-7-8-14-20(24)22-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m0/s1
InChIKeyUDDGHAVCOMOMJE-MHORFTMASA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
N-(2-methylcyclohexyl)butanamide
CID 47005567
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide (CID 124778988) is N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide is C[C@@H]1CCCC[C@@H]1NC(=O)CCCCC(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide?
The InChIKey is UDDGHAVCOMOMJE-MHORFTMASA-N. The full InChI is InChI=1S/C20H36N2O2/c1-15-9-3-5-11-17(15)21-19(23)13-7-8-14-20(24)22-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16+,17-,18-/m0/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide?
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide has a molecular weight of 336.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide is sourced from PubChem (CID 124778988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).