1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

C20H35N — CID 63863471

IUPAC1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N/c1-3-17-6-4-5-7-18(17)19(21-2)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-19,21H,3-13H2,1-2H3
InChIKeyZIMPDKIHAUWTBC-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.01
Rot. Bonds4

About 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 63863471) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
PubChem CID63863471
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N/c1-3-17-6-4-5-7-18(17)19(21-2)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-19,21H,3-13H2,1-2H3
InChIKeyZIMPDKIHAUWTBC-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115862729
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
3-(2-ethylcyclohexyl)-N-methylbutan-1-amine
CID 81012957
1-(2-ethylcyclohexyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65409841
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 115862666
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311979
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
1-[(2-ethylcyclohexyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243841
1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328405

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (CID 63863471) is 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is CCC1CCCCC1C(NC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is ZIMPDKIHAUWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-3-17-6-4-5-7-18(17)19(21-2)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-19,21H,3-13H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 289.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 63863471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).