2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine

C16H31NO2 — CID 79857761

IUPAC2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(OCC2CCOCC2)CCC1(C)C
InChIInChI=1S/C16H31NO2/c1-4-9-17-15-14(5-8-16(15,2)3)19-12-13-6-10-18-11-7-13/h13-15,17H,4-12H2,1-3H3
InChIKeyGUXUJJBGMDSRND-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds6

About 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine

2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine (PubChem CID 79857761) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
PubChem CID79857761
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(OCC2CCOCC2)CCC1(C)C
InChIInChI=1S/C16H31NO2/c1-4-9-17-15-14(5-8-16(15,2)3)19-12-13-6-10-18-11-7-13/h13-15,17H,4-12H2,1-3H3
InChIKeyGUXUJJBGMDSRND-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-5-(oxolan-3-ylmethoxy)cyclopentan-1-amine
CID 79856400
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79860162
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595
N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62384259

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine (CID 79857761) is 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine is CCCNC1C(OCC2CCOCC2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine?
The InChIKey is GUXUJJBGMDSRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-9-17-15-14(5-8-16(15,2)3)19-12-13-6-10-18-11-7-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79857761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).