N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine

C10H22N2 — CID 143703528

IUPACN'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
SMILESC=C(NCNCC(C)C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)6-11-7-12-10(5)9(3)4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyTWGSCXQIKJZAGC-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.95
Rot. Bonds6

About N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine

N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine (PubChem CID 143703528) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine.

Molecular Properties

Compound NameN'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
PubChem CID143703528
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
SMILESC=C(NCNCC(C)C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)6-11-7-12-10(5)9(3)4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyTWGSCXQIKJZAGC-UHFFFAOYSA-N
XLogP1.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine?
The IUPAC name of N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine (CID 143703528) is N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine.
What is the SMILES notation for N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine?
The canonical SMILES for N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine is C=C(NCNCC(C)C)C(C)C.
What is the InChIKey of N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine?
The InChIKey is TWGSCXQIKJZAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)6-11-7-12-10(5)9(3)4/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine?
N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine has a molecular weight of 170.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine is sourced from PubChem (CID 143703528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).