[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine

C16H26N2O — CID 65052803

IUPAC[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2ccncc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-3-14-4-8-16(13-17,9-5-14)19-12-15-6-10-18-11-7-15/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3
InChIKeySCGXIIXROHBNAX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds6

About [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine

[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine (PubChem CID 65052803) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
PubChem CID65052803
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2ccncc2)CC1
InChIInChI=1S/C16H26N2O/c1-2-3-14-4-8-16(13-17,9-5-14)19-12-15-6-10-18-11-7-15/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3
InChIKeySCGXIIXROHBNAX-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
CID 65050486
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
CID 62109697
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
CID 65050673
1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine
CID 65124555
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65052864
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771

Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine (CID 65052803) is [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine is CCCC1CCC(CN)(OCc2ccncc2)CC1.
What is the InChIKey of [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is SCGXIIXROHBNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-14-4-8-16(13-17,9-5-14)19-12-15-6-10-18-11-7-15/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3.
What are the key properties of [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine?
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).