N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine

C19H32N4 — CID 165134865

IUPACN'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
SMILESC/N=C/N.CC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2.C2H6N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19;1-4-2-3/h7-10H,3-6,11-13,18H2,1-2H3;2H,1H3,(H2,3,4)/b17-14+;
InChIKeyZZKOCBPCXSSBGB-KLSJZZFUSA-N
MW316.49 g/mol
LogP3.38
Rot. Bonds4

About N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine

N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine (PubChem CID 165134865) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine.

Molecular Properties

Compound NameN'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
PubChem CID165134865
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
SMILESC/N=C/N.CC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H26N2.C2H6N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19;1-4-2-3/h7-10H,3-6,11-13,18H2,1-2H3;2H,1H3,(H2,3,4)/b17-14+;
InChIKeyZZKOCBPCXSSBGB-KLSJZZFUSA-N
XLogP3.38
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The IUPAC name of N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine (CID 165134865) is N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine.
What is the SMILES notation for N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The canonical SMILES for N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine is C/N=C/N.CC/C(C)=C(/N)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
The InChIKey is ZZKOCBPCXSSBGB-KLSJZZFUSA-N. The full InChI is InChI=1S/C17H26N2.C2H6N2/c1-3-14(2)17(18)16-9-7-15(8-10-16)13-19-11-5-4-6-12-19;1-4-2-3/h7-10H,3-6,11-13,18H2,1-2H3;2H,1H3,(H2,3,4)/b17-14+;.
What are the key properties of N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine?
N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine has a molecular weight of 316.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine is sourced from PubChem (CID 165134865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).