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

C14H24N2 — CID 142064526

IUPACN-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
SMILESC/C=C/C(C)=C(C)\N=C(/C)N1CCCCC1
InChIInChI=1S/C14H24N2/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16/h5,9H,6-8,10-11H2,1-4H3/b9-5+,13-12-,15-14+
InChIKeyUQEANAXHOQSAEP-XBNFKRHPSA-N
MW220.36 g/mol
LogP3.76
Rot. Bonds2

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

N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine (PubChem CID 142064526) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
PubChem CID142064526
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
SMILESC/C=C/C(C)=C(C)\N=C(/C)N1CCCCC1
InChIInChI=1S/C14H24N2/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16/h5,9H,6-8,10-11H2,1-4H3/b9-5+,13-12-,15-14+
InChIKeyUQEANAXHOQSAEP-XBNFKRHPSA-N
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.76
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

N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[b]azepin-2-amine
CID 85844532
2-(Piperidin-1-yl)-3H-azepine
CID 14115561
5-Methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 91415042
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
CID 142064525
2-Methyl-4-methylidene-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 143526264
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
(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
CID 164568249
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

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The IUPAC name of N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine (CID 142064526) is N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine.
What is the SMILES notation for N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The canonical SMILES for 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.
What is the InChIKey of N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
The InChIKey is UQEANAXHOQSAEP-XBNFKRHPSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-9-12(2)13(3)15-14(4)16-10-7-6-8-11-16/h5,9H,6-8,10-11H2,1-4H3/b9-5+,13-12-,15-14+.
What are the key properties of N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine?
N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine has a molecular weight of 220.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine is sourced from PubChem (CID 142064526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).