N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine

C19H29N — CID 64984309

IUPACN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC(C)CC(C)C1)C1Cc2ccccc21
InChIInChI=1S/C19H29N/c1-4-20-19(16-10-13(2)9-14(3)11-16)18-12-15-7-5-6-8-17(15)18/h5-8,13-14,16,18-20H,4,9-12H2,1-3H3
InChIKeyGDRZKFYXMFPNCE-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.38
Rot. Bonds4

About N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 64984309) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine
PubChem CID64984309
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC(C)CC(C)C1)C1Cc2ccccc21
InChIInChI=1S/C19H29N/c1-4-20-19(16-10-13(2)9-14(3)11-16)18-12-15-7-5-6-8-17(15)18/h5-8,13-14,16,18-20H,4,9-12H2,1-3H3
InChIKeyGDRZKFYXMFPNCE-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 65411512
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 64984610
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105224673
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(thiophen-2-yl)methyl]ethanamine
CID 64984504
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107308654
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine
CID 65403978
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 64984067
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine (CID 64984309) is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine is CCNC(C1CC(C)CC(C)C1)C1Cc2ccccc21.
What is the InChIKey of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is GDRZKFYXMFPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-20-19(16-10-13(2)9-14(3)11-16)18-12-15-7-5-6-8-17(15)18/h5-8,13-14,16,18-20H,4,9-12H2,1-3H3.
What are the key properties of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine?
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 64984309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).