N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine

C18H34N2O — CID 102967366

IUPACN-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
SMILESCOC1CCCN(CC2(CNC3CC3)CCCC(C)C2)C1
InChIInChI=1S/C18H34N2O/c1-15-5-3-9-18(11-15,13-19-16-7-8-16)14-20-10-4-6-17(12-20)21-2/h15-17,19H,3-14H2,1-2H3
InChIKeyZWTPYHQUZQTBOB-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds6

About N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine

N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 102967366) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID102967366
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
SMILESCOC1CCCN(CC2(CNC3CC3)CCCC(C)C2)C1
InChIInChI=1S/C18H34N2O/c1-15-5-3-9-18(11-15,13-19-16-7-8-16)14-20-10-4-6-17(12-20)21-2/h15-17,19H,3-14H2,1-2H3
InChIKeyZWTPYHQUZQTBOB-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
CID 103538925
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine (CID 102967366) is N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine is COC1CCCN(CC2(CNC3CC3)CCCC(C)C2)C1.
What is the InChIKey of N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZWTPYHQUZQTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15-5-3-9-18(11-15,13-19-16-7-8-16)14-20-10-4-6-17(12-20)21-2/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine?
N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 294.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 102967366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).