N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine

C14H29NO — CID 79856244

IUPACN-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
SMILESCCNC1C(OCCC(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO/c1-6-15-13-12(7-9-14(13,4)5)16-10-8-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyDQMNAQDIMICXPO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine (PubChem CID 79856244) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
PubChem CID79856244
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
SMILESCCNC1C(OCCC(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO/c1-6-15-13-12(7-9-14(13,4)5)16-10-8-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyDQMNAQDIMICXPO-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
CID 79835866
N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
CID 79856249
5-butoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79857081
N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine
CID 79836067
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
5-ethoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79859712
5-(3,5-dimethoxyphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865785
N,2,2-trimethyl-5-(2-propoxyethoxy)cyclopentan-1-amine
CID 79856528
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
N-ethyl-2,2-dimethyl-5-(4-propylphenoxy)cyclopentan-1-amine
CID 79856403

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine (CID 79856244) is N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine is CCNC1C(OCCC(C)C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine?
The InChIKey is DQMNAQDIMICXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15-13-12(7-9-14(13,4)5)16-10-8-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine is sourced from PubChem (CID 79856244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).