4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol

C8H11NO — CID 142161850

IUPAC4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCC1=CC=C(O)C=CC1
InChIInChI=1S/C8H11NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3-5,10H,2,6,9H2
InChIKeySSLSGDYJBCPTIP-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.27
Rot. Bonds1

About 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol

4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol (PubChem CID 142161850) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
PubChem CID142161850
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCC1=CC=C(O)C=CC1
InChIInChI=1S/C8H11NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3-5,10H,2,6,9H2
InChIKeySSLSGDYJBCPTIP-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1E,3E)-1-amino-4-(aminomethyl)-1-cyclohepta-1,3,5-trien-1-yl-5,5,5-trifluoropenta-1,3-dien-2-ol
CID 139386392
2-(Aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol
CID 167045485
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
6-(Aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol
CID 89044121
6-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 89044123
(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
CID 89185801
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(3E)-7-amino-5-methylidenehepta-1,3-diene-2,3-diol
CID 89981515
(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
CID 90148979
(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
CID 90222187

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol (CID 142161850) is 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol is NCC1=CC=C(O)C=CC1.
What is the InChIKey of 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The InChIKey is SSLSGDYJBCPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3-5,10H,2,6,9H2.
What are the key properties of 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 142161850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).