3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine

C14H27NO — CID 104537106

IUPAC3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-14(2)8-6-12(11-14)15-9-7-13-5-3-4-10-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyHKCRFJJSPXXFGV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 104537106) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
PubChem CID104537106
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-14(2)8-6-12(11-14)15-9-7-13-5-3-4-10-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyHKCRFJJSPXXFGV-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
CID 104872112
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
4,4-dimethyl-N-[2-(oxan-2-yl)ethyl]thian-3-amine
CID 114135823
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 81030494
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine (CID 104537106) is 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine is CC1(C)CCC(NCCC2CCCCO2)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is HKCRFJJSPXXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)8-6-12(11-14)15-9-7-13-5-3-4-10-16-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 104537106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).