2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol

C15H27N3O — CID 64825661

IUPAC2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)CCc1ccncc1
InChIInChI=1S/C15H27N3O/c1-4-8-17-15(2,13-19)12-18(3)11-7-14-5-9-16-10-6-14/h5-6,9-10,17,19H,4,7-8,11-13H2,1-3H3
InChIKeyNNLRCFAXJOKDGR-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.31
Rot. Bonds9

About 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol

2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64825661) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
PubChem CID64825661
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)CCc1ccncc1
InChIInChI=1S/C15H27N3O/c1-4-8-17-15(2,13-19)12-18(3)11-7-14-5-9-16-10-6-14/h5-6,9-10,17,19H,4,7-8,11-13H2,1-3H3
InChIKeyNNLRCFAXJOKDGR-UHFFFAOYSA-N
XLogP1.31
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
1-methyl-3-propyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507576
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258081
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258429
1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol
CID 110017059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol (CID 64825661) is 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN(C)CCc1ccncc1.
What is the InChIKey of 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is NNLRCFAXJOKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-17-15(2,13-19)12-18(3)11-7-14-5-9-16-10-6-14/h5-6,9-10,17,19H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol?
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64825661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).