4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol

C15H25N3O2 — CID 104985437

IUPAC4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCC[C@H](N)c1ccc(N(C)CC2(O)CCOCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-3-13(16)14-5-4-12(10-17-14)18(2)11-15(19)6-8-20-9-7-15/h4-5,10,13,19H,3,6-9,11,16H2,1-2H3/t13-/m0/s1
InChIKeySFMSTOMGHOTTMQ-ZDUSSCGKSA-N
MW279.38 g/mol
LogP1.47
Rot. Bonds5

About 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol

4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol (PubChem CID 104985437) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
PubChem CID104985437
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCC[C@H](N)c1ccc(N(C)CC2(O)CCOCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-3-13(16)14-5-4-12(10-17-14)18(2)11-15(19)6-8-20-9-7-15/h4-5,10,13,19H,3,6-9,11,16H2,1-2H3/t13-/m0/s1
InChIKeySFMSTOMGHOTTMQ-ZDUSSCGKSA-N
XLogP1.47
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985411
4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114950054
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-[(1R)-1-aminopropyl]-N-(cyclopropylmethyl)-N-methylpyridin-3-amine
CID 103937043
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
6-[(1R)-1-aminopropyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 103937109
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol (CID 104985437) is 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol is CC[C@H](N)c1ccc(N(C)CC2(O)CCOCC2)cn1.
What is the InChIKey of 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is SFMSTOMGHOTTMQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-13(16)14-5-4-12(10-17-14)18(2)11-15(19)6-8-20-9-7-15/h4-5,10,13,19H,3,6-9,11,16H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 279.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 104985437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).