N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine

C16H28N2 — CID 90865012

IUPACN-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine
SMILESCC=C(C)C(=CC)C1CCCCN1C/C(C)=N/C
InChIInChI=1S/C16H28N2/c1-6-13(3)15(7-2)16-10-8-9-11-18(16)12-14(4)17-5/h6-7,16H,8-12H2,1-5H3/b13-6?,15-7?,17-14+
InChIKeyWOGNLQMAIOHKHG-GUORAPFDSA-N
MW248.41 g/mol
LogP3.84
Rot. Bonds4

About N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine

N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine (PubChem CID 90865012) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine
PubChem CID90865012
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine
SMILESCC=C(C)C(=CC)C1CCCCN1C/C(C)=N/C
InChIInChI=1S/C16H28N2/c1-6-13(3)15(7-2)16-10-8-9-11-18(16)12-14(4)17-5/h6-7,16H,8-12H2,1-5H3/b13-6?,15-7?,17-14+
InChIKeyWOGNLQMAIOHKHG-GUORAPFDSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine?
The IUPAC name of N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine (CID 90865012) is N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine.
What is the SMILES notation for N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine?
The canonical SMILES for N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine is CC=C(C)C(=CC)C1CCCCN1C/C(C)=N/C.
What is the InChIKey of N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine?
The InChIKey is WOGNLQMAIOHKHG-GUORAPFDSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-13(3)15(7-2)16-10-8-9-11-18(16)12-14(4)17-5/h6-7,16H,8-12H2,1-5H3/b13-6?,15-7?,17-14+.
What are the key properties of N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine?
N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine has a molecular weight of 248.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine is sourced from PubChem (CID 90865012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).