2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine

C13H25NO — CID 114340845

IUPAC2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine
SMILESCC1(C)CCC(OC2CCCC2N)CC1
InChIInChI=1S/C13H25NO/c1-13(2)8-6-10(7-9-13)15-12-5-3-4-11(12)14/h10-12H,3-9,14H2,1-2H3
InChIKeyPDQAZEMKRHHGQY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine

2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine (PubChem CID 114340845) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine
PubChem CID114340845
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine
SMILESCC1(C)CCC(OC2CCCC2N)CC1
InChIInChI=1S/C13H25NO/c1-13(2)8-6-10(7-9-13)15-12-5-3-4-11(12)14/h10-12H,3-9,14H2,1-2H3
InChIKeyPDQAZEMKRHHGQY-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylcyclohexyl)oxycyclohexan-1-amine
CID 114340866
1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
CID 114775186
2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
CID 64747111
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
CID 114340804
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
CID 113395292
4-(3-chloro-2-methoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342820
2-ethoxycyclopentan-1-amine
CID 16792821
cis-(1R,2S)-2-propan-2-yloxycyclopentan-1-amine
CID 94519427
2-(2-ethylcyclohexyl)oxycycloheptan-1-amine
CID 60725474
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
1,2-dicyclopropyloxycyclohexane
CID 175423114

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine (CID 114340845) is 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine is CC1(C)CCC(OC2CCCC2N)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine?
The InChIKey is PDQAZEMKRHHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2)8-6-10(7-9-13)15-12-5-3-4-11(12)14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine?
2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine is sourced from PubChem (CID 114340845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).