N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine

C16H31NO — CID 102901359

IUPACN-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-17-14(3)11-13(2)12-15-7-10-16(18-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPHGMILFUXVIFFF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

About N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine

N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine (PubChem CID 102901359) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
PubChem CID102901359
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-17-14(3)11-13(2)12-15-7-10-16(18-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPHGMILFUXVIFFF-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
CID 102899071
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
CID 102899086
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine (CID 102901359) is N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine is CCNC(C)CC(C)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine?
The InChIKey is PHGMILFUXVIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-17-14(3)11-13(2)12-15-7-10-16(18-15)8-5-6-9-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine?
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine is sourced from PubChem (CID 102901359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).