N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine

C19H37N — CID 81032472

IUPACN-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-5-16-8-10-18(13-20-6-2)19(12-16)17-9-7-14(3)15(4)11-17/h14-20H,5-13H2,1-4H3
InChIKeyFSZPNWHQTNTRDA-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.11
Rot. Bonds5

About N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 81032472) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID81032472
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-5-16-8-10-18(13-20-6-2)19(12-16)17-9-7-14(3)15(4)11-17/h14-20H,5-13H2,1-4H3
InChIKeyFSZPNWHQTNTRDA-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine (CID 81032472) is N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1C1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is FSZPNWHQTNTRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-16-8-10-18(13-20-6-2)19(12-16)17-9-7-14(3)15(4)11-17/h14-20H,5-13H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 279.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).