N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine

C18H35NO — CID 102900256

IUPACN-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H35NO/c1-4-7-16(14-19-13-15(2)3)12-17-8-11-18(20-17)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyXVDDIHLRMGAUHE-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds8

About N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine

N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine (PubChem CID 102900256) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
PubChem CID102900256
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H35NO/c1-4-7-16(14-19-13-15(2)3)12-17-8-11-18(20-17)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyXVDDIHLRMGAUHE-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900558
3-(5,5-dimethyloxolan-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113648573
N-ethyl-5,6-dimethyl-4,9-bis[(2-methylpropan-2-yl)oxy]decan-1-amine
CID 20230570
4-(1-Pentoxyhexyl)piperidine
CID 70273484
4-(5-Methyloxolan-2-yl)piperidine
CID 82839404
N-ethyl-2-methyl-4-(oxolan-2-yl)butan-2-amine
CID 91054537
3-(Oxolan-2-ylmethyl)azepane
CID 104680646
8-Oxa-3-azabicyclo[13.2.1]octadecane
CID 118275876
N-(7-butan-2-yloxy-5-ethylheptyl)-4-methyl-5-propan-2-yloctan-1-amine
CID 123334713
3-(Oxolan-2-yl)-4-propan-2-ylpyrrolidine
CID 142531904
N-butyl-5-methyl-1-(oxolan-2-yl)hexan-3-amine
CID 146386181
1-Methyl-17-oxa-4-azabicyclo[14.1.0]heptadecane
CID 152489049

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine (CID 102900256) is N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine is CCCC(CNCC(C)C)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
The InChIKey is XVDDIHLRMGAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-7-16(14-19-13-15(2)3)12-17-8-11-18(20-17)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine?
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 102900256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).