6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol

Name: 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₂N₂O — CID 66883927

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol

SMILESNCC1(N)C=CC=CC1O

InChIInChI=1S/C7H12N2O/c8-5-7(9)4-2-1-3-6(7)10/h1-4,6,10H,5,8-9H2

InChIKeyDYODLSKRLLFEHU-UHFFFAOYSA-N

MW140.19 g/mol

LogP-0.87

Rot. Bonds1

About 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol

6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 66883927) has the molecular formula C₇H₁₂N₂O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name	6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID	66883927
Molecular Formula	C₇H₁₂N₂O
Molecular Weight	140.19 g/mol
Exact Mass	140.09
IUPAC Name	6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
SMILES	NCC1(N)C=CC=CC1O
InChI	InChI=1S/C7H12N2O/c8-5-7(9)4-2-1-3-6(7)10/h1-4,6,10H,5,8-9H2
InChIKey	DYODLSKRLLFEHU-UHFFFAOYSA-N
XLogP	-0.87
TPSA	72.27 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.19
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?

The IUPAC name of 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol (CID 66883927) is 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol.

What is the SMILES notation for 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?

The canonical SMILES for 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol is NCC1(N)C=CC=CC1O.

What is the InChIKey of 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?

The InChIKey is DYODLSKRLLFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-5-7(9)4-2-1-3-6(7)10/h1-4,6,10H,5,8-9H2.

What are the key properties of 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?

6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 140.19 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66883927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66883927 — identifiers, structure, computed properties (public domain)

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