[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol

C8H13NO — CID 152808934

IUPAC[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESNCC1=CC=C(CO)CC1
InChIInChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h1,3,10H,2,4-6,9H2
InChIKeySQDOAJHSQGLNGS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds2

About [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol

[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 152808934) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID152808934
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESNCC1=CC=C(CO)CC1
InChIInChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h1,3,10H,2,4-6,9H2
InChIKeySQDOAJHSQGLNGS-UHFFFAOYSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol (CID 152808934) is [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol is NCC1=CC=C(CO)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is SQDOAJHSQGLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h1,3,10H,2,4-6,9H2.
What are the key properties of [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol?
[4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 152808934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).