[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine

C27H41N — CID 157358034

IUPAC[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
SMILESCCC12CC3CC(CCC4CCC(CN)CC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C27H41N/c1-2-25-14-23-15-26(18-25,13-12-21-8-10-22(17-28)11-9-21)20-27(16-23,19-25)24-6-4-3-5-7-24/h3-7,21-23H,2,8-20,28H2,1H3
InChIKeyBIHXEQACWSBFEZ-UHFFFAOYSA-N
MW379.63 g/mol
LogP6.85
Rot. Bonds6

About [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine

[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine (PubChem CID 157358034) has the molecular formula C27H41N and a molecular weight of 379.63 g/mol. Its IUPAC name is [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
PubChem CID157358034
Molecular FormulaC27H41N
Molecular Weight379.63 g/mol
Exact Mass379.32
IUPAC Name[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
SMILESCCC12CC3CC(CCC4CCC(CN)CC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C27H41N/c1-2-25-14-23-15-26(18-25,13-12-21-8-10-22(17-28)11-9-21)20-27(16-23,19-25)24-6-4-3-5-7-24/h3-7,21-23H,2,8-20,28H2,1H3
InChIKeyBIHXEQACWSBFEZ-UHFFFAOYSA-N
XLogP6.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine with MolForge

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Related Compounds

(3-ethyl-5-phenyl-1-adamantyl)methanamine
CID 142519813
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
CID 118038366
N-[4-(aminomethyl)cyclohexyl]-5-ethyl-7-phenyladamantane-2-carboxamide
CID 162525661
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
CID 137436018
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-ethyl-5-phenyl-1-adamantyl]ethanone
CID 157269484
1,3,5-triethyladamantane
CID 21415733
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
1-ethyl-3,5-dipropyladamantane
CID 609649

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine (CID 157358034) is [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine is CCC12CC3CC(CCC4CCC(CN)CC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine?
The InChIKey is BIHXEQACWSBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N/c1-2-25-14-23-15-26(18-25,13-12-21-8-10-22(17-28)11-9-21)20-27(16-23,19-25)24-6-4-3-5-7-24/h3-7,21-23H,2,8-20,28H2,1H3.
What are the key properties of [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine?
[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine has a molecular weight of 379.63 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 157358034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).