(6-methylcyclohexa-1,3-dien-1-yl)methanamine

C8H13N — CID 70231633

IUPAC(6-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1CC=CC=C1CN
InChIInChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyYUFBGGMXFPOCCB-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.47
Rot. Bonds1

About (6-methylcyclohexa-1,3-dien-1-yl)methanamine

(6-methylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 70231633) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (6-methylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6-methylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID70231633
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(6-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1CC=CC=C1CN
InChIInChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h2-3,5,7H,4,6,9H2,1H3
InChIKeyYUFBGGMXFPOCCB-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (6-methylcyclohexa-1,3-dien-1-yl)methanamine (CID 70231633) is (6-methylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (6-methylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (6-methylcyclohexa-1,3-dien-1-yl)methanamine is CC1CC=CC=C1CN.
What is the InChIKey of (6-methylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is YUFBGGMXFPOCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h2-3,5,7H,4,6,9H2,1H3.
What are the key properties of (6-methylcyclohexa-1,3-dien-1-yl)methanamine?
(6-methylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 123.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 70231633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).