4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine

C14H23NO — CID 141045829

IUPAC4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2=CCCC=C2OC)CC1
InChIInChI=1S/C14H23NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyJJIMBKABIPSFRR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds3

About 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine

4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 141045829) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine
PubChem CID141045829
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2=CCCC=C2OC)CC1
InChIInChI=1S/C14H23NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyJJIMBKABIPSFRR-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-Methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline
CID 70486099
6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine
CID 163493322
2-[2-[(2R)-1-(4-methoxycyclobuta-1,3-dien-1-yl)propan-2-yl]cyclohexen-1-yl]-N-methylethanamine
CID 163898762
7-methoxy-N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-amine
CID 177783990

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine (CID 141045829) is 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine is CNC1CCC(C2=CCCC=C2OC)CC1.
What is the InChIKey of 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is JJIMBKABIPSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h5-6,11-12,15H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine?
4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxycyclohexa-1,5-dien-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 141045829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).