2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine

C14H29NO — CID 106662836

IUPAC2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine
SMILESCC(C)COCCNC1CC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLKDYMRVPYQKSJK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine (PubChem CID 106662836) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine
PubChem CID106662836
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine
SMILESCC(C)COCCNC1CC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLKDYMRVPYQKSJK-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine (CID 106662836) is 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine is CC(C)COCCNC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine?
The InChIKey is LKDYMRVPYQKSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 106662836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).