(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine

C10H20N2 — CID 170318905

IUPAC(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine
SMILESC/C(=N\C=C(/N)C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(5)12-6-10(11)8(3)4/h6-8H,11H2,1-5H3/b10-6-,12-9+
InChIKeyLNYJREMKTMAQPJ-ZQNGMKBSSA-N
MW168.28 g/mol
LogP2.56
Rot. Bonds3

About (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine

(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine (PubChem CID 170318905) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine
PubChem CID170318905
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine
SMILESC/C(=N\C=C(/N)C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(5)12-6-10(11)8(3)4/h6-8H,11H2,1-5H3/b10-6-,12-9+
InChIKeyLNYJREMKTMAQPJ-ZQNGMKBSSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.56
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 (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine?
The IUPAC name of (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine (CID 170318905) is (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine.
What is the SMILES notation for (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine?
The canonical SMILES for (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine is C/C(=N\C=C(/N)C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine?
The InChIKey is LNYJREMKTMAQPJ-ZQNGMKBSSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)9(5)12-6-10(11)8(3)4/h6-8H,11H2,1-5H3/b10-6-,12-9+.
What are the key properties of (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine?
(Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-(3-methylbutan-2-ylideneamino)but-1-en-2-amine is sourced from PubChem (CID 170318905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).