N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine

C17H34N2O — CID 64581384

IUPACN-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(COC)C2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-5-4-6-9-17)15-19-11-7-16(12-19)13-20-2/h16,18H,3-15H2,1-2H3
InChIKeyKAQZPBHZJLNELM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds8

About N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 64581384) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID64581384
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(COC)C2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-5-4-6-9-17)15-19-11-7-16(12-19)13-20-2/h16,18H,3-15H2,1-2H3
InChIKeyKAQZPBHZJLNELM-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine (CID 64581384) is N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN2CCC(COC)C2)CCCCC1.
What is the InChIKey of N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is KAQZPBHZJLNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-10-18-14-17(8-5-4-6-9-17)15-19-11-7-16(12-19)13-20-2/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 64581384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).