2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine

C14H28N2 — CID 102075337

IUPAC2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CC(C)C)CC1CN1CC(C)C
InChIInChI=1S/C14H28N2/c1-6-7-15(8-12(2)3)10-14-11-16(14)9-13(4)5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyHYGQXLLLQIVQAD-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.47
Rot. Bonds8

About 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine

2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine (PubChem CID 102075337) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine
PubChem CID102075337
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CC(C)C)CC1CN1CC(C)C
InChIInChI=1S/C14H28N2/c1-6-7-15(8-12(2)3)10-14-11-16(14)9-13(4)5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyHYGQXLLLQIVQAD-UHFFFAOYSA-N
XLogP2.47
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine (CID 102075337) is 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine is C=CCN(CC(C)C)CC1CN1CC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine?
The InChIKey is HYGQXLLLQIVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-15(8-12(2)3)10-14-11-16(14)9-13(4)5/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine?
2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylpropyl)aziridin-2-yl]methyl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 102075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).