N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine

C18H36N2O — CID 102967363

IUPACN-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC(OC)C2)CCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-12-19-15-18(10-6-4-5-7-11-18)16-20-13-8-9-17(14-20)21-2/h17,19H,3-16H2,1-2H3
InChIKeyMJFOOXSGEVAEKN-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds7

About N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine

N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 102967363) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
PubChem CID102967363
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC(OC)C2)CCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-12-19-15-18(10-6-4-5-7-11-18)16-20-13-8-9-17(14-20)21-2/h17,19H,3-16H2,1-2H3
InChIKeyMJFOOXSGEVAEKN-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 65281727
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-methoxypiperidine
CID 102963677

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine (CID 102967363) is N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine is CCCNCC1(CN2CCCC(OC)C2)CCCCCC1.
What is the InChIKey of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is MJFOOXSGEVAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-12-19-15-18(10-6-4-5-7-11-18)16-20-13-8-9-17(14-20)21-2/h17,19H,3-16H2,1-2H3.
What are the key properties of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine?
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 7 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]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 102967363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).