N,2,2-trimethylcyclopentan-1-amine

C8H17N — CID 20604599

IUPACN,2,2-trimethylcyclopentan-1-amine
SMILESCNC1CCCC1(C)C
InChIInChI=1S/C8H17N/c1-8(2)6-4-5-7(8)9-3/h7,9H,4-6H2,1-3H3
InChIKeyYLYBHRXGPGHASX-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds1

About N,2,2-trimethylcyclopentan-1-amine

N,2,2-trimethylcyclopentan-1-amine (PubChem CID 20604599) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethylcyclopentan-1-amine
PubChem CID20604599
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,2,2-trimethylcyclopentan-1-amine
SMILESCNC1CCCC1(C)C
InChIInChI=1S/C8H17N/c1-8(2)6-4-5-7(8)9-3/h7,9H,4-6H2,1-3H3
InChIKeyYLYBHRXGPGHASX-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of N,2,2-trimethylcyclopentan-1-amine (CID 20604599) is N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethylcyclopentan-1-amine is CNC1CCCC1(C)C.
What is the InChIKey of N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is YLYBHRXGPGHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)6-4-5-7(8)9-3/h7,9H,4-6H2,1-3H3.
What are the key properties of N,2,2-trimethylcyclopentan-1-amine?
N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 20604599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).