5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine

C14H25NO — CID 142238064

IUPAC5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine
SMILESCC1=CC(O)=CCC1.CC1CCC(N)CC1
InChIInChI=1S/C7H15N.C7H10O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3;4-5,8H,2-3H2,1H3
InChIKeyABGKWNZEYNWMEE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.69
Rot. Bonds

About 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine

5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine (PubChem CID 142238064) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine
PubChem CID142238064
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine
SMILESCC1=CC(O)=CCC1.CC1CCC(N)CC1
InChIInChI=1S/C7H15N.C7H10O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3;4-5,8H,2-3H2,1H3
InChIKeyABGKWNZEYNWMEE-UHFFFAOYSA-N
XLogP3.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine?
The IUPAC name of 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine (CID 142238064) is 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine.
What is the SMILES notation for 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine?
The canonical SMILES for 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine is CC1=CC(O)=CCC1.CC1CCC(N)CC1.
What is the InChIKey of 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine?
The InChIKey is ABGKWNZEYNWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H10O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3;4-5,8H,2-3H2,1H3.
What are the key properties of 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine?
5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohexa-1,5-dien-1-ol;4-methylcyclohexan-1-amine is sourced from PubChem (CID 142238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).