1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine

C14H22N2O — CID 64551697

IUPAC1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCc2ccncc2)CCCCCC1
InChIInChI=1S/C14H22N2O/c15-14(7-3-1-2-4-8-14)12-17-11-13-5-9-16-10-6-13/h5-6,9-10H,1-4,7-8,11-12,15H2
InChIKeyLIGILIFSMIVBPW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.65
Rot. Bonds4

About 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine

1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine (PubChem CID 64551697) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
PubChem CID64551697
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCc2ccncc2)CCCCCC1
InChIInChI=1S/C14H22N2O/c15-14(7-3-1-2-4-8-14)12-17-11-13-5-9-16-10-6-13/h5-6,9-10H,1-4,7-8,11-12,15H2
InChIKeyLIGILIFSMIVBPW-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
N-Desmethyldoxylamine
CID 135338
R-Doxylamine
CID 6852255
Pyridine, 4-(4,5-dihydro-2-oxazolyl)-
CID 576251
(5-Pyridin-3-yloxolan-2-yl)methanamine
CID 11367332
3-(5-Ethyloxolan-2-yl)pyridine
CID 11816181
2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
Doxylamine D5
CID 46781433
Doxylamine, (S)-
CID 25271652
Pyridine, 3-(4,5-dihydro-2-oxazolyl)-
CID 794242
[(2S,5S)-5-pyridin-3-yloxolan-2-yl]methanamine
CID 155516718

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine (CID 64551697) is 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine is NC1(COCc2ccncc2)CCCCCC1.
What is the InChIKey of 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine?
The InChIKey is LIGILIFSMIVBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-14(7-3-1-2-4-8-14)12-17-11-13-5-9-16-10-6-13/h5-6,9-10H,1-4,7-8,11-12,15H2.
What are the key properties of 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine?
1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64551697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).