N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine

C16H31NO — CID 79923393

IUPACN-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-13(11-14(2)17-3)15-7-10-18-16(12-15)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyCBAPQHJZUGBOCY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine

N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine (PubChem CID 79923393) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
PubChem CID79923393
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-13(11-14(2)17-3)15-7-10-18-16(12-15)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyCBAPQHJZUGBOCY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010023
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine (CID 79923393) is N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine is CNC(C)CC(C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine?
The InChIKey is CBAPQHJZUGBOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(11-14(2)17-3)15-7-10-18-16(12-15)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine?
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine is sourced from PubChem (CID 79923393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).