ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine

C19H35N — CID 176983702

IUPACethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine
SMILESC=C(/C=C\C(C)=C/C)CN1CCC(C(C)C)CC1.CC
InChIInChI=1S/C17H29N.C2H6/c1-6-15(4)7-8-16(5)13-18-11-9-17(10-12-18)14(2)3;1-2/h6-8,14,17H,5,9-13H2,1-4H3;1-2H3/b8-7-,15-6-;
InChIKeyOLWDWLNBZXYPBX-OHBIQMCWSA-N
MW277.50 g/mol
LogP5.46
Rot. Bonds5

About ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine

ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine (PubChem CID 176983702) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine
PubChem CID176983702
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Nameethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine
SMILESC=C(/C=C\C(C)=C/C)CN1CCC(C(C)C)CC1.CC
InChIInChI=1S/C17H29N.C2H6/c1-6-15(4)7-8-16(5)13-18-11-9-17(10-12-18)14(2)3;1-2/h6-8,14,17H,5,9-13H2,1-4H3;1-2H3/b8-7-,15-6-;
InChIKeyOLWDWLNBZXYPBX-OHBIQMCWSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
CID 178000127
1-(2-methylprop-2-enyl)-4-(2-methylpropyl)piperidine
CID 155706752
1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
CID 178000182
1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
CID 103976469
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine
CID 176984948
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717921

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine?
The IUPAC name of ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine (CID 176983702) is ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine is C=C(/C=C\C(C)=C/C)CN1CCC(C(C)C)CC1.CC.
What is the InChIKey of ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine?
The InChIKey is OLWDWLNBZXYPBX-OHBIQMCWSA-N. The full InChI is InChI=1S/C17H29N.C2H6/c1-6-15(4)7-8-16(5)13-18-11-9-17(10-12-18)14(2)3;1-2/h6-8,14,17H,5,9-13H2,1-4H3;1-2H3/b8-7-,15-6-;.
What are the key properties of ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine?
ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine has a molecular weight of 277.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 176983702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).