N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine

C17H31NO — CID 102901315

IUPACN-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
SMILESCNC1CCCCC(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-18-15-7-3-2-6-14(12-15)13-16-8-11-17(19-16)9-4-5-10-17/h14-16,18H,2-13H2,1H3
InChIKeyZBZWCPGAJFUTTN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds3

About N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine

N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 102901315) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
PubChem CID102901315
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
SMILESCNC1CCCCC(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-18-15-7-3-2-6-14(12-15)13-16-8-11-17(19-16)9-4-5-10-17/h14-16,18H,2-13H2,1H3
InChIKeyZBZWCPGAJFUTTN-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303
N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
CID 102899036
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 102899065
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 102899052
3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine (CID 102901315) is N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine is CNC1CCCCC(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is ZBZWCPGAJFUTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-18-15-7-3-2-6-14(12-15)13-16-8-11-17(19-16)9-4-5-10-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine?
N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 102901315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).