N,4,4-trimethylcyclohex-2-en-1-amine

C9H17N — CID 56979088

IUPACN,4,4-trimethylcyclohex-2-en-1-amine
SMILESCNC1C=CC(C)(C)CC1
InChIInChI=1S/C9H17N/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8,10H,5,7H2,1-3H3
InChIKeyGHBGNDIZDDLOLE-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

About N,4,4-trimethylcyclohex-2-en-1-amine

N,4,4-trimethylcyclohex-2-en-1-amine (PubChem CID 56979088) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,4,4-trimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN,4,4-trimethylcyclohex-2-en-1-amine
PubChem CID56979088
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,4,4-trimethylcyclohex-2-en-1-amine
SMILESCNC1C=CC(C)(C)CC1
InChIInChI=1S/C9H17N/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8,10H,5,7H2,1-3H3
InChIKeyGHBGNDIZDDLOLE-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethylcyclohex-2-en-1-amine?
The IUPAC name of N,4,4-trimethylcyclohex-2-en-1-amine (CID 56979088) is N,4,4-trimethylcyclohex-2-en-1-amine.
What is the SMILES notation for N,4,4-trimethylcyclohex-2-en-1-amine?
The canonical SMILES for N,4,4-trimethylcyclohex-2-en-1-amine is CNC1C=CC(C)(C)CC1.
What is the InChIKey of N,4,4-trimethylcyclohex-2-en-1-amine?
The InChIKey is GHBGNDIZDDLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8,10H,5,7H2,1-3H3.
What are the key properties of N,4,4-trimethylcyclohex-2-en-1-amine?
N,4,4-trimethylcyclohex-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 56979088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).