3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine

C10H17N — CID 176531844

IUPAC3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine
SMILESCNC1=C=C(C(C)(C)C)CC1
InChIInChI=1S/C10H17N/c1-10(2,3)8-5-6-9(7-8)11-4/h11H,5-6H2,1-4H3
InChIKeyXKKKJKVJAXLGTQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.45
Rot. Bonds1

About 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine

3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine (PubChem CID 176531844) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine
PubChem CID176531844
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine
SMILESCNC1=C=C(C(C)(C)C)CC1
InChIInChI=1S/C10H17N/c1-10(2,3)8-5-6-9(7-8)11-4/h11H,5-6H2,1-4H3
InChIKeyXKKKJKVJAXLGTQ-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine?
The IUPAC name of 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine (CID 176531844) is 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine.
What is the SMILES notation for 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine?
The canonical SMILES for 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine is CNC1=C=C(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine?
The InChIKey is XKKKJKVJAXLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)8-5-6-9(7-8)11-4/h11H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine?
3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methylcyclopenta-1,2-dien-1-amine is sourced from PubChem (CID 176531844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).