2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine

C10H16N2 — CID 126516954

IUPAC2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCC1(C)C=CC(N)=C(CN)C=C1
InChIInChI=1S/C10H16N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-6H,7,11-12H2,1-2H3
InChIKeyHDFLZTRGZGSJPS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.31
Rot. Bonds1

About 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine

2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 126516954) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID126516954
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCC1(C)C=CC(N)=C(CN)C=C1
InChIInChI=1S/C10H16N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-6H,7,11-12H2,1-2H3
InChIKeyHDFLZTRGZGSJPS-UHFFFAOYSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine (CID 126516954) is 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine is CC1(C)C=CC(N)=C(CN)C=C1.
What is the InChIKey of 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is HDFLZTRGZGSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2)5-3-8(7-11)9(12)4-6-10/h3-6H,7,11-12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine?
2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 126516954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).