(3,3-dimethylcyclopentyl)methanamine

C8H17N — CID 21361457

IUPAC(3,3-dimethylcyclopentyl)methanamine
SMILESCC1(C)CCC(CN)C1
InChIInChI=1S/C8H17N/c1-8(2)4-3-7(5-8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyCNGKJQOCQZBXEQ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds1

About (3,3-dimethylcyclopentyl)methanamine

(3,3-dimethylcyclopentyl)methanamine (PubChem CID 21361457) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3,3-dimethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3,3-dimethylcyclopentyl)methanamine
PubChem CID21361457
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3,3-dimethylcyclopentyl)methanamine
SMILESCC1(C)CCC(CN)C1
InChIInChI=1S/C8H17N/c1-8(2)4-3-7(5-8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyCNGKJQOCQZBXEQ-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclopentyl)methanamine?
The IUPAC name of (3,3-dimethylcyclopentyl)methanamine (CID 21361457) is (3,3-dimethylcyclopentyl)methanamine.
What is the SMILES notation for (3,3-dimethylcyclopentyl)methanamine?
The canonical SMILES for (3,3-dimethylcyclopentyl)methanamine is CC1(C)CCC(CN)C1.
What is the InChIKey of (3,3-dimethylcyclopentyl)methanamine?
The InChIKey is CNGKJQOCQZBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)4-3-7(5-8)6-9/h7H,3-6,9H2,1-2H3.
What are the key properties of (3,3-dimethylcyclopentyl)methanamine?
(3,3-dimethylcyclopentyl)methanamine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopentyl)methanamine is sourced from PubChem (CID 21361457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).