3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

C10H17NO — CID 163655397

IUPAC3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC1=CC=C(CCCO)C(N)C1
InChIInChI=1S/C10H17NO/c1-8-4-5-9(3-2-6-12)10(11)7-8/h4-5,10,12H,2-3,6-7,11H2,1H3
InChIKeyIPUDHEDPDJCEBB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds3

About 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (PubChem CID 163655397) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
PubChem CID163655397
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCC1=CC=C(CCCO)C(N)C1
InChIInChI=1S/C10H17NO/c1-8-4-5-9(3-2-6-12)10(11)7-8/h4-5,10,12H,2-3,6-7,11H2,1H3
InChIKeyIPUDHEDPDJCEBB-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The IUPAC name of 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (CID 163655397) is 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The canonical SMILES for 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is CC1=CC=C(CCCO)C(N)C1.
What is the InChIKey of 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The InChIKey is IPUDHEDPDJCEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-5-9(3-2-6-12)10(11)7-8/h4-5,10,12H,2-3,6-7,11H2,1H3.
What are the key properties of 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is sourced from PubChem (CID 163655397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).