N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide

C18H34N2O — CID 43223719

IUPACN-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-14(2)18(21)20-13-12-19-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h14-17,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyPEJKTJXMWLBGGT-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide

N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide (PubChem CID 43223719) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
PubChem CID43223719
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C18H34N2O/c1-14(2)18(21)20-13-12-19-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h14-17,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyPEJKTJXMWLBGGT-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.49
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

N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide (CID 43223719) is N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is PEJKTJXMWLBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)18(21)20-13-12-19-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h14-17,19H,3-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 294.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43223719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).