ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine

C74H165N3 — CID 158490394

IUPACethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCNCC1.CC(C)N1CCCCC1
InChIInChI=1S/4C9H18.3C8H17N.7C2H6/c4*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;7*1-2/h4*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*1-2H3
InChIKeyHIPVSTUQDHOHFM-UHFFFAOYSA-N
MW1097.15 g/mol
LogP25.38
Rot. Bonds7

About ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine

ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine (PubChem CID 158490394) has the molecular formula C74H165N3 and a molecular weight of 1097.15 g/mol. Its IUPAC name is ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
PubChem CID158490394
Molecular FormulaC74H165N3
Molecular Weight1097.15 g/mol
Exact Mass1096.30
IUPAC Nameethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCNCC1.CC(C)N1CCCCC1
InChIInChI=1S/4C9H18.3C8H17N.7C2H6/c4*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;7*1-2/h4*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*1-2H3
InChIKeyHIPVSTUQDHOHFM-UHFFFAOYSA-N
XLogP25.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.15
LogP ≤ 525.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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CID 167698824
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(2R)-2-propan-2-ylazepane
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(2S)-2-propan-2-ylpiperidine
CID 7022854
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CID 97297803
1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
CID 159611359
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
morpholine;1-propan-2-ylpiperidine
CID 172575779

Frequently Asked Questions

What is the IUPAC name of ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The IUPAC name of ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine (CID 158490394) is ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The canonical SMILES for ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine is CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCNCC1.CC(C)N1CCCCC1.
What is the InChIKey of ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The InChIKey is HIPVSTUQDHOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H18.3C8H17N.7C2H6/c4*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;7*1-2/h4*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7*1-2H3.
What are the key properties of ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine has a molecular weight of 1097.15 g/mol, XLogP of 25.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 158490394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).