1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine

C14H23N — CID 142280064

IUPAC1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C14H23N/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5-6,12,14-15H,2,4,7-11H2,1H3
InChIKeyRLONMWCDYJOEOJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine

1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine (PubChem CID 142280064) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
PubChem CID142280064
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C14H23N/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5-6,12,14-15H,2,4,7-11H2,1H3
InChIKeyRLONMWCDYJOEOJ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine (CID 142280064) is 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is RLONMWCDYJOEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5-6,12,14-15H,2,4,7-11H2,1H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine?
1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 142280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).