N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide

C14H28N2 — CID 131999138

IUPACN-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
SMILESCCC/C(C)=C/N=C(\C)N(C)CCC(C)C
InChIInChI=1S/C14H28N2/c1-7-8-13(4)11-15-14(5)16(6)10-9-12(2)3/h11-12H,7-10H2,1-6H3/b13-11+,15-14+
InChIKeyCOLDPHAYSNBKDI-VVOKNZMXSA-N
MW224.39 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide

N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide (PubChem CID 131999138) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
PubChem CID131999138
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
SMILESCCC/C(C)=C/N=C(\C)N(C)CCC(C)C
InChIInChI=1S/C14H28N2/c1-7-8-13(4)11-15-14(5)16(6)10-9-12(2)3/h11-12H,7-10H2,1-6H3/b13-11+,15-14+
InChIKeyCOLDPHAYSNBKDI-VVOKNZMXSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide (CID 131999138) is N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide is CCC/C(C)=C/N=C(\C)N(C)CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide?
The InChIKey is COLDPHAYSNBKDI-VVOKNZMXSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-8-13(4)11-15-14(5)16(6)10-9-12(2)3/h11-12H,7-10H2,1-6H3/b13-11+,15-14+.
What are the key properties of N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide?
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide has a molecular weight of 224.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide is sourced from PubChem (CID 131999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).