N-butan-2-yl-4-methyliminopent-2-en-2-amine

C10H20N2 — CID 152732713

IUPACN-butan-2-yl-4-methyliminopent-2-en-2-amine
SMILESCCC(C)NC(C)=C/C(C)=N/C
InChIInChI=1S/C10H20N2/c1-6-8(2)12-10(4)7-9(3)11-5/h7-8,12H,6H2,1-5H3/b10-7?,11-9+
InChIKeyYNNJANQIUAGVNN-LQBWKNETSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds4

About N-butan-2-yl-4-methyliminopent-2-en-2-amine

N-butan-2-yl-4-methyliminopent-2-en-2-amine (PubChem CID 152732713) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-butan-2-yl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-methyliminopent-2-en-2-amine
PubChem CID152732713
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-butan-2-yl-4-methyliminopent-2-en-2-amine
SMILESCCC(C)NC(C)=C/C(C)=N/C
InChIInChI=1S/C10H20N2/c1-6-8(2)12-10(4)7-9(3)11-5/h7-8,12H,6H2,1-5H3/b10-7?,11-9+
InChIKeyYNNJANQIUAGVNN-LQBWKNETSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyliminopent-2-en-2-amine?
The IUPAC name of N-butan-2-yl-4-methyliminopent-2-en-2-amine (CID 152732713) is N-butan-2-yl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for N-butan-2-yl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for N-butan-2-yl-4-methyliminopent-2-en-2-amine is CCC(C)NC(C)=C/C(C)=N/C.
What is the InChIKey of N-butan-2-yl-4-methyliminopent-2-en-2-amine?
The InChIKey is YNNJANQIUAGVNN-LQBWKNETSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-8(2)12-10(4)7-9(3)11-5/h7-8,12H,6H2,1-5H3/b10-7?,11-9+.
What are the key properties of N-butan-2-yl-4-methyliminopent-2-en-2-amine?
N-butan-2-yl-4-methyliminopent-2-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 152732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).