N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine

C18H29N3O — CID 71860476

IUPACN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCC2(CN3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-2-6-18(7-3-1,16-21-9-11-22-12-10-21)15-20-14-17-5-4-8-19-13-17/h4-5,8,13,20H,1-3,6-7,9-12,14-16H2
InChIKeyJDTQZBJSRBROMO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine

N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 71860476) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID71860476
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCC2(CN3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-2-6-18(7-3-1,16-21-9-11-22-12-10-21)15-20-14-17-5-4-8-19-13-17/h4-5,8,13,20H,1-3,6-7,9-12,14-16H2
InChIKeyJDTQZBJSRBROMO-UHFFFAOYSA-N
XLogP2.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]methanamine
CID 71975026
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
methyl 4-[(pyridin-3-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788957
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 72904612
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397

Frequently Asked Questions

What is the IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine (CID 71860476) is N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine is c1cncc(CNCC2(CN3CCOCC3)CCCCC2)c1.
What is the InChIKey of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is JDTQZBJSRBROMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-6-18(7-3-1,16-21-9-11-22-12-10-21)15-20-14-17-5-4-8-19-13-17/h4-5,8,13,20H,1-3,6-7,9-12,14-16H2.
What are the key properties of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine?
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 303.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 71860476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).