1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol

C14H22N2O2 — CID 106249742

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCc2cccnc21
InChIInChI=1S/C14H22N2O2/c1-14(17,7-9-18-2)10-16-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,12,16-17H,5-7,9-10H2,1-2H3
InChIKeyIAGAAECOLFSPNB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds6

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 106249742) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID106249742
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CCc2cccnc21
InChIInChI=1S/C14H22N2O2/c1-14(17,7-9-18-2)10-16-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,12,16-17H,5-7,9-10H2,1-2H3
InChIKeyIAGAAECOLFSPNB-UHFFFAOYSA-N
XLogP1.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772784
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
CID 106187476
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
CID 102774114
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
tert-butyl N-[(E)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)but-2-enyl]carbamate
CID 107252998
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol (CID 106249742) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is IAGAAECOLFSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(17,7-9-18-2)10-16-12-6-5-11-4-3-8-15-13(11)12/h3-4,8,12,16-17H,5-7,9-10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106249742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).