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

C17H29N3O — CID 80632565

IUPAC2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
SMILESCc1cc(CNC(C)C)cnc1N(CCO)C1CCCC1
InChIInChI=1S/C17H29N3O/c1-13(2)18-11-15-10-14(3)17(19-12-15)20(8-9-21)16-6-4-5-7-16/h10,12-13,16,18,21H,4-9,11H2,1-3H3
InChIKeyYSCMTQXOZDFTNB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.63
Rot. Bonds7

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

2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol (PubChem CID 80632565) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
PubChem CID80632565
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
SMILESCc1cc(CNC(C)C)cnc1N(CCO)C1CCCC1
InChIInChI=1S/C17H29N3O/c1-13(2)18-11-15-10-14(3)17(19-12-15)20(8-9-21)16-6-4-5-7-16/h10,12-13,16,18,21H,4-9,11H2,1-3H3
InChIKeyYSCMTQXOZDFTNB-UHFFFAOYSA-N
XLogP2.63
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63553009
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651345

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol (CID 80632565) is 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol is Cc1cc(CNC(C)C)cnc1N(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
The InChIKey is YSCMTQXOZDFTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)18-11-15-10-14(3)17(19-12-15)20(8-9-21)16-6-4-5-7-16/h10,12-13,16,18,21H,4-9,11H2,1-3H3.
What are the key properties of 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol?
2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80632565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).