N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine

C10H22N2 — CID 126690242

IUPACN',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
SMILESC=C(C)C(C)NCCCN(C)C
InChIInChI=1S/C10H22N2/c1-9(2)10(3)11-7-6-8-12(4)5/h10-11H,1,6-8H2,2-5H3
InChIKeyORJVKWKHJNHXPK-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds6

About N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine (PubChem CID 126690242) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
PubChem CID126690242
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
SMILESC=C(C)C(C)NCCCN(C)C
InChIInChI=1S/C10H22N2/c1-9(2)10(3)11-7-6-8-12(4)5/h10-11H,1,6-8H2,2-5H3
InChIKeyORJVKWKHJNHXPK-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine 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',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine (CID 126690242) is N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine is C=C(C)C(C)NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine?
The InChIKey is ORJVKWKHJNHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)10(3)11-7-6-8-12(4)5/h10-11H,1,6-8H2,2-5H3.
What are the key properties of N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine is sourced from PubChem (CID 126690242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).