ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine

C16H30N2 — CID 142064525

IUPACethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
SMILESC/C=C/C(C)=C(C)\N=C(/C)N1CCCCC1.CC
InChIInChI=1S/C14H24N2.C2H6/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16;1-2/h5,9H,6-8,10-11H2,1-4H3;1-2H3/b9-5+,13-12-,15-14+;
InChIKeyMQBLTUKOUCZIKV-XGRNRBSESA-N
MW250.43 g/mol
LogP4.79
Rot. Bonds2

About ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine

ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine (PubChem CID 142064525) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine.

Molecular Properties

Compound Nameethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
PubChem CID142064525
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Nameethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
SMILESC/C=C/C(C)=C(C)\N=C(/C)N1CCCCC1.CC
InChIInChI=1S/C14H24N2.C2H6/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16;1-2/h5,9H,6-8,10-11H2,1-4H3;1-2H3/b9-5+,13-12-,15-14+;
InChIKeyMQBLTUKOUCZIKV-XGRNRBSESA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,6-bis(ethenyl)-3-methyl-2-pentyl-4H-pyrimidine
CID 144207017
2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile
CID 156819082
2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-en-1-amine
CID 156819137
N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
CID 166886864
(6Z,8Z)-N,1-di(propan-2-yl)-3,4-dihydrocycloocta[b]pyridin-2-imine
CID 173809943
(Z)-4-imino-1-(2-methyl-6-piperidin-1-yl-2H-pyridin-5-ylidene)pent-2-en-1-amine
CID 173814085
(3E,5Z,6E)-3,6-bis[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4,5-di(ethylidene)piperidin-2-imine
CID 173933700
(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine
CID 174047615
(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine
CID 174103242
N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
CID 142064526
N-[(Z)-pent-2-en-3-yl]-1-piperidin-1-ylethanimine
CID 143696033
(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine
CID 155747111

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The IUPAC name of ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine (CID 142064525) is ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine.
What is the SMILES notation for ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The canonical SMILES for ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine is C/C=C/C(C)=C(C)\N=C(/C)N1CCCCC1.CC.
What is the InChIKey of ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The InChIKey is MQBLTUKOUCZIKV-XGRNRBSESA-N. The full InChI is InChI=1S/C14H24N2.C2H6/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16;1-2/h5,9H,6-8,10-11H2,1-4H3;1-2H3/b9-5+,13-12-,15-14+;.
What are the key properties of ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine has a molecular weight of 250.43 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine is sourced from PubChem (CID 142064525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).