(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine

C14H28N2 — CID 173486356

IUPAC(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine
SMILESCCCCC[C@H]1N[C@H]1CC/C=C\C(C)(C)N
InChIInChI=1S/C14H28N2/c1-4-5-6-9-12-13(16-12)10-7-8-11-14(2,3)15/h8,11-13,16H,4-7,9-10,15H2,1-3H3/b11-8-/t12-,13+/m1/s1
InChIKeySSIHVPYBCXSYDI-ASDJVNKTSA-N
MW224.39 g/mol
LogP2.98
Rot. Bonds8

About (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine

(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine (PubChem CID 173486356) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine.

Molecular Properties

Compound Name(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine
PubChem CID173486356
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine
SMILESCCCCC[C@H]1N[C@H]1CC/C=C\C(C)(C)N
InChIInChI=1S/C14H28N2/c1-4-5-6-9-12-13(16-12)10-7-8-11-14(2,3)15/h8,11-13,16H,4-7,9-10,15H2,1-3H3/b11-8-/t12-,13+/m1/s1
InChIKeySSIHVPYBCXSYDI-ASDJVNKTSA-N
XLogP2.98
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine?
The IUPAC name of (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine (CID 173486356) is (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine.
What is the SMILES notation for (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine?
The canonical SMILES for (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine is CCCCC[C@H]1N[C@H]1CC/C=C\C(C)(C)N.
What is the InChIKey of (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine?
The InChIKey is SSIHVPYBCXSYDI-ASDJVNKTSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-5-6-9-12-13(16-12)10-7-8-11-14(2,3)15/h8,11-13,16H,4-7,9-10,15H2,1-3H3/b11-8-/t12-,13+/m1/s1.
What are the key properties of (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine?
(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine is sourced from PubChem (CID 173486356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).