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

C7H13N3O — CID 21278600

IUPAC4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
SMILESNCC1(N)C=C(N)C=CC1O
InChIInChI=1S/C7H13N3O/c8-4-7(10)3-5(9)1-2-6(7)11/h1-3,6,11H,4,8-10H2
InChIKeyRATDZSIGVLVTOI-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.58
Rot. Bonds1

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

4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 21278600) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID21278600
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
SMILESNCC1(N)C=C(N)C=CC1O
InChIInChI=1S/C7H13N3O/c8-4-7(10)3-5(9)1-2-6(7)11/h1-3,6,11H,4,8-10H2
InChIKeyRATDZSIGVLVTOI-UHFFFAOYSA-N
XLogP-1.58
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol (CID 21278600) is 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol is NCC1(N)C=C(N)C=CC1O.
What is the InChIKey of 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is RATDZSIGVLVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-4-7(10)3-5(9)1-2-6(7)11/h1-3,6,11H,4,8-10H2.
What are the key properties of 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol?
4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of -1.58, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 21278600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).