N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine

C19H33NO — CID 81033490

IUPACN-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C19H33NO/c1-14-3-4-16(13-20-17-5-6-17)18(11-14)15-7-10-21-19(12-15)8-2-9-19/h14-18,20H,2-13H2,1H3
InChIKeyCATFIHRCVWWLPR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.14
Rot. Bonds4

About N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine

N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81033490) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81033490
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C19H33NO/c1-14-3-4-16(13-20-17-5-6-17)18(11-14)15-7-10-21-19(12-15)8-2-9-19/h14-18,20H,2-13H2,1H3
InChIKeyCATFIHRCVWWLPR-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine (CID 81033490) is N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is CATFIHRCVWWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14-3-4-16(13-20-17-5-6-17)18(11-14)15-7-10-21-19(12-15)8-2-9-19/h14-18,20H,2-13H2,1H3.
What are the key properties of N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81033490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).