1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine

C15H30N2O — CID 103538925

IUPAC1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC(OC)C2)CCCC(C)C1
InChIInChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,11-16-2)12-17-8-6-14(10-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyBPUDUODLGOJIOU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine

1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine (PubChem CID 103538925) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
PubChem CID103538925
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC(OC)C2)CCCC(C)C1
InChIInChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,11-16-2)12-17-8-6-14(10-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyBPUDUODLGOJIOU-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249
N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
CID 102967366
3-methyl-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 103358517
N-methyl-1-[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 62256723
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
CID 82751322
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine (CID 103538925) is 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine is CNCC1(CN2CCC(OC)C2)CCCC(C)C1.
What is the InChIKey of 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is BPUDUODLGOJIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-5-4-7-15(9-13,11-16-2)12-17-8-6-14(10-17)18-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine?
1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).