N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine

C16H28N2 — CID 11075824

IUPACN-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine
SMILESC/C=C/C=C/CC1CCCCN1/C=N/C(C)(C)C
InChIInChI=1S/C16H28N2/c1-5-6-7-8-11-15-12-9-10-13-18(15)14-17-16(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+,8-7+,17-14+
InChIKeyCTDVDCHNQSFRTO-MEYUELCESA-N
MW248.41 g/mol
LogP4.19
Rot. Bonds4

About N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine

N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine (PubChem CID 11075824) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine
PubChem CID11075824
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine
SMILESC/C=C/C=C/CC1CCCCN1/C=N/C(C)(C)C
InChIInChI=1S/C16H28N2/c1-5-6-7-8-11-15-12-9-10-13-18(15)14-17-16(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+,8-7+,17-14+
InChIKeyCTDVDCHNQSFRTO-MEYUELCESA-N
XLogP4.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.19
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

(E)-N-tert-Butyl-1-[2-(prop-2-en-1-yl)piperidin-1-yl]methanimine
CID 13283831
N-tert-butyl-1-[2-[(4E)-hexa-1,4-dien-3-yl]piperidin-1-yl]methanimine
CID 11807028
(E)-N-tert-Butyl-1-(6-butyl-3,6-dihydropyridin-1(2H)-yl)methanimine
CID 13283862
N-[(4E,6Z)-4-ethylnona-4,6-dien-2-yl]-N,N'-dimethylmethanimidamide
CID 143159768

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine (CID 11075824) is N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine is C/C=C/C=C/CC1CCCCN1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine?
The InChIKey is CTDVDCHNQSFRTO-MEYUELCESA-N. The full InChI is InChI=1S/C16H28N2/c1-5-6-7-8-11-15-12-9-10-13-18(15)14-17-16(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+,8-7+,17-14+.
What are the key properties of N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine?
N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine has a molecular weight of 248.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-[(2E,4E)-hexa-2,4-dienyl]piperidin-1-yl]methanimine is sourced from PubChem (CID 11075824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).