N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C19H35NO — CID 102899065

IUPACN-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C19H35NO/c1-14(2)15-6-7-18(20-3)16(12-15)13-17-8-11-19(21-17)9-4-5-10-19/h14-18,20H,4-13H2,1-3H3
InChIKeyQSMMMNGDFOCZPJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.53
Rot. Bonds4

About N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 102899065) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID102899065
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C19H35NO/c1-14(2)15-6-7-18(20-3)16(12-15)13-17-8-11-19(21-17)9-4-5-10-19/h14-18,20H,4-13H2,1-3H3
InChIKeyQSMMMNGDFOCZPJ-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 102899065) is N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CC1CCC2(CCCC2)O1.
What is the InChIKey of N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QSMMMNGDFOCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-14(2)15-6-7-18(20-3)16(12-15)13-17-8-11-19(21-17)9-4-5-10-19/h14-18,20H,4-13H2,1-3H3.
What are the key properties of N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 102899065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).