ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde

C17H29NO — CID 155716388

IUPACethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde
SMILESCC.CC1(c2ncccc2C=O)CC1.CCC(C)C
InChIInChI=1S/C10H11NO.C5H12.C2H6/c1-10(4-5-10)9-8(7-12)3-2-6-11-9;1-4-5(2)3;1-2/h2-3,6-7H,4-5H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyWAVNMILOVOGLAN-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.02
Rot. Bonds3

About ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde

ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde (PubChem CID 155716388) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde
PubChem CID155716388
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde
SMILESCC.CC1(c2ncccc2C=O)CC1.CCC(C)C
InChIInChI=1S/C10H11NO.C5H12.C2H6/c1-10(4-5-10)9-8(7-12)3-2-6-11-9;1-4-5(2)3;1-2/h2-3,6-7H,4-5H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyWAVNMILOVOGLAN-UHFFFAOYSA-N
XLogP5.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
3-fluoro-2-(1-methylcyclobutyl)pyridine
CID 90282613
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
2-(3-hydroxy-3-methylazetidin-1-yl)pyridine-3-carbaldehyde
CID 131162220
benzene-1,4-diamine;2-methylpyridine-3-carbaldehyde
CID 143052286
2-pentoxypyridine-3-carbaldehyde
CID 11622489
8-butan-2-yloxyquinoline-5-carbaldehyde
CID 133164872
[(3-formyl-2-pyridinyl)amino]-methylazanide;rubidium(1+)
CID 170788982
2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 154406090
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
CID 114055511
7-(2-methylpropyl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 90293921
ethanol;2-methylbenzaldehyde
CID 161286186

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde?
The IUPAC name of ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde (CID 155716388) is ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde.
What is the SMILES notation for ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde?
The canonical SMILES for ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde is CC.CC1(c2ncccc2C=O)CC1.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde?
The InChIKey is WAVNMILOVOGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C5H12.C2H6/c1-10(4-5-10)9-8(7-12)3-2-6-11-9;1-4-5(2)3;1-2/h2-3,6-7H,4-5H2,1H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde?
ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde has a molecular weight of 263.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;2-(1-methylcyclopropyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 155716388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).