2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol

C16H29N3O — CID 80630615

IUPAC2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
SMILESCCC(CC)N(CCO)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-5-15(6-2)19(9-10-20)16-8-7-14(12-18-16)11-17-13(3)4/h7-8,12-13,15,17,20H,5-6,9-11H2,1-4H3
InChIKeyRXCOJEWZSSHXSD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.57
Rot. Bonds9

About 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol

2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol (PubChem CID 80630615) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
PubChem CID80630615
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
SMILESCCC(CC)N(CCO)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-5-15(6-2)19(9-10-20)16-8-7-14(12-18-16)11-17-13(3)4/h7-8,12-13,15,17,20H,5-6,9-11H2,1-4H3
InChIKeyRXCOJEWZSSHXSD-UHFFFAOYSA-N
XLogP2.57
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
CID 113468825
5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79492000
[6-[2-methoxyethyl(pentan-3-yl)amino]-3-pyridinyl]methanol
CID 55002823
6-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carbothioamide
CID 54998874
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640
N-(cyclobutylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62855473
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284058
2-[3-methyl-N-pentan-3-yl-4-[(propan-2-ylamino)methyl]anilino]ethanol
CID 62130474
[6-[butan-2-yl(ethyl)amino]-3-pyridinyl]methanol
CID 61257475

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol (CID 80630615) is 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol is CCC(CC)N(CCO)c1ccc(CNC(C)C)cn1.
What is the InChIKey of 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The InChIKey is RXCOJEWZSSHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-15(6-2)19(9-10-20)16-8-7-14(12-18-16)11-17-13(3)4/h7-8,12-13,15,17,20H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol has a molecular weight of 279.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80630615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).