N-(3,5,5-trimethylhexyl)cyclopentanamine

C14H29N — CID 60984290

IUPACN-(3,5,5-trimethylhexyl)cyclopentanamine
SMILESCC(CCNC1CCCC1)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-12(11-14(2,3)4)9-10-15-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyJLGYAIZBZTVWGT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds5

About N-(3,5,5-trimethylhexyl)cyclopentanamine

N-(3,5,5-trimethylhexyl)cyclopentanamine (PubChem CID 60984290) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(3,5,5-trimethylhexyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3,5,5-trimethylhexyl)cyclopentanamine
PubChem CID60984290
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(3,5,5-trimethylhexyl)cyclopentanamine
SMILESCC(CCNC1CCCC1)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-12(11-14(2,3)4)9-10-15-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyJLGYAIZBZTVWGT-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,5-trimethylhexyl)cyclopentanamine?
The IUPAC name of N-(3,5,5-trimethylhexyl)cyclopentanamine (CID 60984290) is N-(3,5,5-trimethylhexyl)cyclopentanamine.
What is the SMILES notation for N-(3,5,5-trimethylhexyl)cyclopentanamine?
The canonical SMILES for N-(3,5,5-trimethylhexyl)cyclopentanamine is CC(CCNC1CCCC1)CC(C)(C)C.
What is the InChIKey of N-(3,5,5-trimethylhexyl)cyclopentanamine?
The InChIKey is JLGYAIZBZTVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(11-14(2,3)4)9-10-15-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-(3,5,5-trimethylhexyl)cyclopentanamine?
N-(3,5,5-trimethylhexyl)cyclopentanamine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,5-trimethylhexyl)cyclopentanamine is sourced from PubChem (CID 60984290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).