(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine

C20H35N — CID 104992588

IUPAC(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
SMILESCCC1CCCC(C(N)C23CC4CC(CC(C)(C4)C2)C3)C1
InChIInChI=1S/C20H35N/c1-3-14-5-4-6-17(8-14)18(21)20-11-15-7-16(12-20)10-19(2,9-15)13-20/h14-18H,3-13,21H2,1-2H3
InChIKeyMOKTYVVIBHXTLL-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.14
Rot. Bonds3

About (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine

(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine (PubChem CID 104992588) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
PubChem CID104992588
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
SMILESCCC1CCCC(C(N)C23CC4CC(CC(C)(C4)C2)C3)C1
InChIInChI=1S/C20H35N/c1-3-14-5-4-6-17(8-14)18(21)20-11-15-7-16(12-20)10-19(2,9-15)13-20/h14-18H,3-13,21H2,1-2H3
InChIKeyMOKTYVVIBHXTLL-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclohexyl-(3-methyl-1-adamantyl)methyl]hydrazine
CID 105282078
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
3-ethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028489
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
CID 79493446
1-(1-adamantyl)-2-cyclobutylethanamine
CID 65457441
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
3-methyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 115845746
1-(2,2-dimethylcyclopropyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 107004575
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine (CID 104992588) is (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine is CCC1CCCC(C(N)C23CC4CC(CC(C)(C4)C2)C3)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine?
The InChIKey is MOKTYVVIBHXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-3-14-5-4-6-17(8-14)18(21)20-11-15-7-16(12-20)10-19(2,9-15)13-20/h14-18H,3-13,21H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine?
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine has a molecular weight of 289.51 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine is sourced from PubChem (CID 104992588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).