9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine

C15H29NO — CID 65082535

IUPAC9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
SMILESCCCNC1CCOC2(CCCC(C)CC2)C1
InChIInChI=1S/C15H29NO/c1-3-10-16-14-7-11-17-15(12-14)8-4-5-13(2)6-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeySMFKCGHXCJOIJI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds3

About 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine

9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine (PubChem CID 65082535) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine.

Molecular Properties

Compound Name9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
PubChem CID65082535
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
SMILESCCCNC1CCOC2(CCCC(C)CC2)C1
InChIInChI=1S/C15H29NO/c1-3-10-16-14-7-11-17-15(12-14)8-4-5-13(2)6-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeySMFKCGHXCJOIJI-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine
CID 107430383
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
2-methoxy-N-propyl-5-oxaspiro[3.5]nonan-8-amine
CID 106824190
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine?
The IUPAC name of 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine (CID 65082535) is 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine.
What is the SMILES notation for 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine?
The canonical SMILES for 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine is CCCNC1CCOC2(CCCC(C)CC2)C1.
What is the InChIKey of 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine?
The InChIKey is SMFKCGHXCJOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-10-16-14-7-11-17-15(12-14)8-4-5-13(2)6-9-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine?
9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine is sourced from PubChem (CID 65082535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).