N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine

C15H33N3 — CID 58451796

IUPACN'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN(C)CCCNCC(C)C
InChIInChI=1S/C15H33N3/c1-14(2)12-16-8-6-10-18(5)11-7-9-17-13-15(3)4/h15-17H,1,6-13H2,2-5H3
InChIKeyCVFVKDOFMYQFPT-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.11
Rot. Bonds12

About N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine

N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 58451796) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID58451796
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN(C)CCCNCC(C)C
InChIInChI=1S/C15H33N3/c1-14(2)12-16-8-6-10-18(5)11-7-9-17-13-15(3)4/h15-17H,1,6-13H2,2-5H3
InChIKeyCVFVKDOFMYQFPT-UHFFFAOYSA-N
XLogP2.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine (CID 58451796) is N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine is C=C(C)CNCCCN(C)CCCNCC(C)C.
What is the InChIKey of N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CVFVKDOFMYQFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(2)12-16-8-6-10-18(5)11-7-9-17-13-15(3)4/h15-17H,1,6-13H2,2-5H3.
What are the key properties of N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine?
N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[3-(2-methylprop-2-enylamino)propyl]-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 58451796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).