(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol

C16H29N3O — CID 103938619

IUPAC(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CCN(C)C)CC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-6-16(20)15-8-7-14(11-17-15)19(12-13(2)3)10-9-18(4)5/h7-8,11,13,16,20H,6,9-10,12H2,1-5H3/t16-/m1/s1
InChIKeyQFTAIOURBXEBQU-MRXNPFEDSA-N
MW279.43 g/mol
LogP2.55
Rot. Bonds8

About (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938619) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938619
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CCN(C)C)CC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-6-16(20)15-8-7-14(11-17-15)19(12-13(2)3)10-9-18(4)5/h7-8,11,13,16,20H,6,9-10,12H2,1-5H3/t16-/m1/s1
InChIKeyQFTAIOURBXEBQU-MRXNPFEDSA-N
XLogP2.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1S)-1-[5-[2-methoxyethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938533
N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83122520
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol (CID 103938619) is (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N(CCN(C)C)CC(C)C)cn1.
What is the InChIKey of (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is QFTAIOURBXEBQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(20)15-8-7-14(11-17-15)19(12-13(2)3)10-9-18(4)5/h7-8,11,13,16,20H,6,9-10,12H2,1-5H3/t16-/m1/s1.
What are the key properties of (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).