(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine

C10H20N2 — CID 170201437

IUPAC(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine
SMILESC=N/C(=C\NCC(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-12-7-10(11-5)9(3)4/h7-9,12H,5-6H2,1-4H3/b10-7-
InChIKeyNTGLOCTVGDEBBL-YFHOEESVSA-N
MW168.28 g/mol
LogP2.43
Rot. Bonds5

About (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine

(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine (PubChem CID 170201437) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine
PubChem CID170201437
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine
SMILESC=N/C(=C\NCC(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-12-7-10(11-5)9(3)4/h7-9,12H,5-6H2,1-4H3/b10-7-
InChIKeyNTGLOCTVGDEBBL-YFHOEESVSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.43
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-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine (CID 170201437) is (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine is C=N/C(=C\NCC(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine?
The InChIKey is NTGLOCTVGDEBBL-YFHOEESVSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-12-7-10(11-5)9(3)4/h7-9,12H,5-6H2,1-4H3/b10-7-.
What are the key properties of (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine?
(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine is sourced from PubChem (CID 170201437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).