1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol

C15H27N3O — CID 115475479

IUPAC1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(CN(C)CC(O)CNCC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-12(2)8-16-9-15(19)11-18(4)10-14-7-5-6-13(3)17-14/h5-7,12,15-16,19H,8-11H2,1-4H3
InChIKeyOCROGNICVKLXQD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.43
Rot. Bonds8

About 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol

1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115475479) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
PubChem CID115475479
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(CN(C)CC(O)CNCC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-12(2)8-16-9-15(19)11-18(4)10-14-7-5-6-13(3)17-14/h5-7,12,15-16,19H,8-11H2,1-4H3
InChIKeyOCROGNICVKLXQD-UHFFFAOYSA-N
XLogP1.43
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
1-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81000122

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol (CID 115475479) is 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol is Cc1cccc(CN(C)CC(O)CNCC(C)C)n1.
What is the InChIKey of 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is OCROGNICVKLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)8-16-9-15(19)11-18(4)10-14-7-5-6-13(3)17-14/h5-7,12,15-16,19H,8-11H2,1-4H3.
What are the key properties of 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115475479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).