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

C15H25N3O — CID 104985411

IUPAC1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC[C@H](N)c1ccc(N(C)CC2(O)CCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-13(16)14-7-6-12(10-17-14)18(2)11-15(19)8-4-5-9-15/h6-7,10,13,19H,3-5,8-9,11,16H2,1-2H3/t13-/m0/s1
InChIKeyMCHJUZRQXIMMNA-ZDUSSCGKSA-N
MW263.38 g/mol
LogP2.23
Rot. Bonds5

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

1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 104985411) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID104985411
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCC[C@H](N)c1ccc(N(C)CC2(O)CCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-13(16)14-7-6-12(10-17-14)18(2)11-15(19)8-4-5-9-15/h6-7,10,13,19H,3-5,8-9,11,16H2,1-2H3/t13-/m0/s1
InChIKeyMCHJUZRQXIMMNA-ZDUSSCGKSA-N
XLogP2.23
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 104985437
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
6-[(1R)-1-aminopropyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 103937109
4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114950054
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
CID 105415245
6-[(1S)-1-aminopropyl]-N-cyclopropyl-N-ethylpyridin-3-amine
CID 103936962
6-[(1S)-1-aminopropyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 103937477
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
6-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 103937401

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (CID 104985411) is 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is CC[C@H](N)c1ccc(N(C)CC2(O)CCCC2)cn1.
What is the InChIKey of 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MCHJUZRQXIMMNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13(16)14-7-6-12(10-17-14)18(2)11-15(19)8-4-5-9-15/h6-7,10,13,19H,3-5,8-9,11,16H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 104985411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).