N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine

C13H27NO — CID 107894019

IUPACN-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCOC1C
InChIInChI=1S/C13H27NO/c1-5-7-10(3)13(14-6-2)12-8-9-15-11(12)4/h10-14H,5-9H2,1-4H3
InChIKeyILERCDFLWPFRPY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine

N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine (PubChem CID 107894019) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine
PubChem CID107894019
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCOC1C
InChIInChI=1S/C13H27NO/c1-5-7-10(3)13(14-6-2)12-8-9-15-11(12)4/h10-14H,5-9H2,1-4H3
InChIKeyILERCDFLWPFRPY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 105017515
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 107893426
N-ethyl-2-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 104988154
[2-methyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105325722
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
CID 104995134
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 107893991
[2-ethyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105324024
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 105012146
[2-methyl-1-(2-methyloxolan-3-yl)propyl]hydrazine
CID 105281679
N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016
2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
CID 105005567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine (CID 107894019) is N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine is CCCC(C)C(NCC)C1CCOC1C.
What is the InChIKey of N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The InChIKey is ILERCDFLWPFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-10(3)13(14-6-2)12-8-9-15-11(12)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 107894019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).