2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol

C16H27N3O — CID 115939423

IUPAC2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCCNC(CC)c1ccc(N(CCO)C2CC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-15(4-2)16-8-7-14(12-18-16)19(10-11-20)13-5-6-13/h7-8,12-13,15,17,20H,3-6,9-11H2,1-2H3
InChIKeyMKMPDNCOKOXWPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds9

About 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol

2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol (PubChem CID 115939423) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
PubChem CID115939423
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCCNC(CC)c1ccc(N(CCO)C2CC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-15(4-2)16-8-7-14(12-18-16)19(10-11-20)13-5-6-13/h7-8,12-13,15,17,20H,3-6,9-11H2,1-2H3
InChIKeyMKMPDNCOKOXWPX-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
2-[cyclopropyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]ethanol
CID 83122512
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
N-butyl-N-cyclopropyl-6-[1-(ethylamino)propyl]pyridin-3-amine
CID 115939376
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(2-methoxyethyl)pyridin-3-amine
CID 115939392
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123007
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
N-cyclopropyl-6-[1-(ethylamino)ethyl]-N-propylpyridin-3-amine
CID 83122891

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol (CID 115939423) is 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol is CCCNC(CC)c1ccc(N(CCO)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol?
The InChIKey is MKMPDNCOKOXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-15(4-2)16-8-7-14(12-18-16)19(10-11-20)13-5-6-13/h7-8,12-13,15,17,20H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol?
2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 115939423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).