N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide

C9H16N2 — CID 126513641

IUPACN'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/CCC(C)C
InChIInChI=1S/C9H16N2/c1-4-6-10-8-11-7-5-9(2)3/h4,6,8-9H,1,5,7H2,2-3H3/b10-6+,11-8+
InChIKeyRQVGZNQOWQUNNU-NSJFVGFPSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds5

About N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide

N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide (PubChem CID 126513641) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide.

Molecular Properties

Compound NameN'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide
PubChem CID126513641
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/CCC(C)C
InChIInChI=1S/C9H16N2/c1-4-6-10-8-11-7-5-9(2)3/h4,6,8-9H,1,5,7H2,2-3H3/b10-6+,11-8+
InChIKeyRQVGZNQOWQUNNU-NSJFVGFPSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
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'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide?
The IUPAC name of N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide (CID 126513641) is N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide.
What is the SMILES notation for N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide?
The canonical SMILES for N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide is C=C/C=N/C=N/CCC(C)C.
What is the InChIKey of N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide?
The InChIKey is RQVGZNQOWQUNNU-NSJFVGFPSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-10-8-11-7-5-9(2)3/h4,6,8-9H,1,5,7H2,2-3H3/b10-6+,11-8+.
What are the key properties of N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide?
N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide is sourced from PubChem (CID 126513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).