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

C19H37NO — CID 105016151

IUPACN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H37NO/c1-4-9-16(10-5-2)18(20-3)17-11-14-21-19(15-17)12-7-6-8-13-19/h16-18,20H,4-15H2,1-3H3
InChIKeyBEKSQIUFAUOKAJ-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds7

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

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine (PubChem CID 105016151) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
PubChem CID105016151
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H37NO/c1-4-9-16(10-5-2)18(20-3)17-11-14-21-19(15-17)12-7-6-8-13-19/h16-18,20H,4-15H2,1-3H3
InChIKeyBEKSQIUFAUOKAJ-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 116725429
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine?
The IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine (CID 105016151) is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine is CCCC(CCC)C(NC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine?
The InChIKey is BEKSQIUFAUOKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-9-16(10-5-2)18(20-3)17-11-14-21-19(15-17)12-7-6-8-13-19/h16-18,20H,4-15H2,1-3H3.
What are the key properties of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine?
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 105016151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).