N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine

C13H25NO2 — CID 81102187

IUPACN-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCC2CCOCO2)C1C
InChIInChI=1S/C13H25NO2/c1-3-11-4-5-13(10(11)2)14-8-12-6-7-15-9-16-12/h10-14H,3-9H2,1-2H3
InChIKeyGRFUZORXNBONND-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.16
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine

N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 81102187) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID81102187
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCC2CCOCO2)C1C
InChIInChI=1S/C13H25NO2/c1-3-11-4-5-13(10(11)2)14-8-12-6-7-15-9-16-12/h10-14H,3-9H2,1-2H3
InChIKeyGRFUZORXNBONND-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 81102186
3-ethyl-2-methyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64921005
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 81101804
N-(1,3-dioxan-4-ylmethyl)-5-methylthiolan-3-amine
CID 131097752
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
CID 65079209
N-(1,3-dioxan-4-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107418278
N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 64922734
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143
2-[(3-ethyl-2-methylcyclopentyl)amino]-1-morpholin-4-ylethanone
CID 64921969

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine (CID 81102187) is N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCC2CCOCO2)C1C.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is GRFUZORXNBONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11-4-5-13(10(11)2)14-8-12-6-7-15-9-16-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 81102187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).