N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine

C14H29NO2 — CID 112587342

IUPACN,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine
SMILESCNC1C(OCCOC(C)(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-10-9-16-11-7-8-14(4,5)12(11)15-6/h11-12,15H,7-10H2,1-6H3
InChIKeyRMHQEQMTMXNIKG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds5

About N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine

N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine (PubChem CID 112587342) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine
PubChem CID112587342
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine
SMILESCNC1C(OCCOC(C)(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-10-9-16-11-7-8-14(4,5)12(11)15-6/h11-12,15H,7-10H2,1-6H3
InChIKeyRMHQEQMTMXNIKG-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine (CID 112587342) is N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine is CNC1C(OCCOC(C)(C)C)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine?
The InChIKey is RMHQEQMTMXNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)17-10-9-16-11-7-8-14(4,5)12(11)15-6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine?
N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine is sourced from PubChem (CID 112587342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).